@prefix : . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . @prefix rdfs: . @base . rdf:type owl:Ontology ; owl:versionIRI ; owl:imports , , , ; , , , , ; "2026-09-30"^^xsd:date ; ; "An ontology for representing molecular, electrochemical, thermodynamic, computational, and provenance information relevant to organic flow-battery electrolyte research."@en ; "2026-09-30"^^xsd:date ; ; ; ; "Organic Flow Battery Ontology"@en ; "ofbo" ; "https://w3id.org/ofbo#" ; ; owl:versionInfo "1.2.0" ; "active"@en . ################################################################# # Annotation properties ################################################################# ### http://purl.obolibrary.org/obo/BFO_0000179 rdf:type owl:AnnotationProperty ; "Relates an entity in the ontology to the name of the variable that is used to represent it in the code that generates the BFO OWL file from the lispy specification."@en ; "Really of interest to developers only"@en ; rdfs:label "BFO OWL specification label"@en ; rdfs:subPropertyOf rdfs:label . ### http://purl.obolibrary.org/obo/BFO_0000180 rdf:type owl:AnnotationProperty ; "Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2"@en ; "Person:Alan Ruttenberg" ; "Really of interest to developers only"@en ; rdfs:label "BFO CLIF specification label"@en ; rdfs:subPropertyOf rdfs:label . ### http://purl.obolibrary.org/obo/IAO_0000111 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "editor preferred term"@en . ### http://purl.obolibrary.org/obo/IAO_0000112 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "example of usage"@en . ### http://purl.obolibrary.org/obo/IAO_0000115 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "definition"@en . ### http://purl.obolibrary.org/obo/IAO_0000116 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "editor note"@en . ### http://purl.obolibrary.org/obo/IAO_0000117 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "term editor"@en . ### http://purl.obolibrary.org/obo/IAO_0000118 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "alternative term"@en . ### http://purl.obolibrary.org/obo/IAO_0000119 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "definition source"@en . ### http://purl.obolibrary.org/obo/IAO_0000232 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "curator note"@en . ### http://purl.obolibrary.org/obo/IAO_0000233 rdf:type owl:AnnotationProperty . ### http://purl.obolibrary.org/obo/IAO_0000412 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "imported from"@en . ### http://purl.obolibrary.org/obo/IAO_0000600 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "elucidation"@en . ### http://purl.obolibrary.org/obo/IAO_0000601 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "has associated axiom(nl)"@en . ### http://purl.obolibrary.org/obo/IAO_0000602 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "has associated axiom(fol)"@en . ### http://purl.obolibrary.org/obo/IAO_0010000 rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; rdfs:label "has axiom label"@en . ### http://purl.org/dc/elements/1.1/contributor rdf:type owl:AnnotationProperty . ### http://purl.org/dc/elements/1.1/member rdf:type owl:AnnotationProperty . ### http://purl.org/dc/elements/1.1/source rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/contributor rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/created rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/creator rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/description rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/issued rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/license rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/publisher rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/source rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/title rdf:type owl:AnnotationProperty . ### http://purl.org/vocab/vann/preferredNamespacePrefix rdf:type owl:AnnotationProperty . ### http://purl.org/vocab/vann/preferredNamespaceUri rdf:type owl:AnnotationProperty . ### http://schema.org/description rdf:type owl:AnnotationProperty . ### http://schema.org/funder rdf:type owl:AnnotationProperty . ### http://schema.org/funding rdf:type owl:AnnotationProperty . ### http://schema.org/identifier rdf:type owl:AnnotationProperty . ### http://schema.org/name rdf:type owl:AnnotationProperty . ### http://schema.org/url rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#hasAlternativeId rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#hasDbXref rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#hasOBONamespace rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#id rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#inSubset rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#is_cyclic rdf:type owl:AnnotationProperty . ### http://www.w3.org/2000/01/rdf-schema#isDefinedBy rdfs:isDefinedBy rdf:type owl:AnnotationProperty . ### http://www.w3.org/2000/01/rdf-schema#seeAlso rdfs:seeAlso rdf:type owl:AnnotationProperty . ### http://www.w3.org/2004/02/skos/core#closeMatch rdf:type owl:AnnotationProperty . ### http://www.w3.org/2004/02/skos/core#definition rdf:type owl:AnnotationProperty . ### http://www.w3.org/2004/02/skos/core#exactMatch rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#category rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#component rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#definition rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#editorialNote rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#inverse rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#qualifiedForm rdf:type owl:AnnotationProperty . ### http://www.w3.org/ns/prov#sharesDefinitionWith rdf:type owl:AnnotationProperty . ### http://xmlns.com/foaf/0.1/homepage rdf:type owl:AnnotationProperty . ### http://xmlns.com/foaf/0.1/mbox rdf:type owl:AnnotationProperty . ### http://xmlns.com/foaf/0.1/name rdf:type owl:AnnotationProperty . ### https://w3id.org/mod#status rdf:type owl:AnnotationProperty . ### https://w3id.org/ofbo#canonicalUnit :canonicalUnit rdf:type owl:AnnotationProperty ; rdfs:label "canonical unit"@en ; "Relates an OFBO property class to the QUDT unit used as the canonical unit for numerical comparison and cross-study querying."@en ; rdfs:range . ### https://w3id.org/ofbo#relevance :relevance rdf:type owl:AnnotationProperty ; rdfs:label "relevance"@en ; """The annotation property relevance links an entity, property, method, or measurement to a textual explanation of its significance or importance in a specific context. It is used to provide contextual justification, for example, explaining why a property or method is important for (organic) redox flow batteries (RFBs) or other application domains.""" ; rdfs:subPropertyOf rdfs:comment . ### https://w3id.org/ofbo#rfbLiterature :rfbLiterature rdf:type owl:AnnotationProperty ; rdfs:label "RFB literature"@en ; """The annotation property rfbLiterature links a property, method, or entity to bibliographic references (e.g., DOI) of papers relevant to organic redox flow batteries (ORFBs). It is used to document sources where the property, descriptor, or method is discussed or demonstrated in the context of ORFBs, allowing users to trace evidence and supporting literature for a given feature.""" ; rdfs:subPropertyOf rdfs:comment . ################################################################# # Datatypes ################################################################# ### http://www.w3.org/2001/XMLSchema#date xsd:date rdf:type rdfs:Datatype . ################################################################# # Object Properties ################################################################# ### http://purl.obolibrary.org/obo/BFO_0000050 rdf:type owl:ObjectProperty ; owl:inverseOf ; rdf:type owl:TransitiveProperty ; "a core relation that holds between a part and its whole"@en ; rdfs:label "part of"@en , "part of" . ### http://purl.obolibrary.org/obo/BFO_0000051 rdf:type owl:ObjectProperty , owl:TransitiveProperty ; "a core relation that holds between a whole and its part"@en ; "BFO:0000051" ; "chebi_ontology" ; "has_part" ; "false"^^xsd:boolean ; rdfs:label "has part"@en , "has part" . ### http://purl.obolibrary.org/obo/RO_0000081 rdf:type owl:ObjectProperty ; owl:inverseOf ; rdfs:domain ; rdfs:range ; rdfs:label "role of"@en ; "A relation between a role and the independent continuant in which that role inheres."@en . ### http://purl.obolibrary.org/obo/RO_0000087 rdf:type owl:ObjectProperty ; rdfs:domain ; rdfs:range ; rdfs:label "has role"@en ; "A relation between an independent continuant and a role that inheres in it."@en . ### http://purl.obolibrary.org/obo/RO_0002351 rdf:type owl:ObjectProperty , owl:IrreflexiveProperty ; "has member"@en ; "has member is a mereological relation between a collection and an item." ; ; rdfs:label "has member"@en . ### http://purl.obolibrary.org/obo/RXNO_0000423 rdf:type owl:ObjectProperty ; rdfs:domain :OFBO_0007100 ; rdfs:range :OFBO_0000011 ; rdfs:label "has specified product" ; "A relation between a planned reaction step and a molecular entity participating in that process. The creation of the molecular entity during the process is explicitly specified in the objective specification which the planned reaction step realizes the concretization of." . ### http://purl.obolibrary.org/obo/RXNO_0000424 rdf:type owl:ObjectProperty ; rdfs:domain :OFBO_0007100 ; rdfs:range :OFBO_0000011 ; rdfs:label "has specified reactant" ; "A relation between a planned reaction step and a molecular entity participating in that process that is not created during the process. The destruction of the molecular entity during the process is explicitly specified in the plan specification which the process realizes the concretization of." . ### http://qudt.org/schema/qudt/unit rdf:type owl:ObjectProperty ; rdfs:range . ### http://semanticscience.org/resource/SIO_000011 rdf:type owl:ObjectProperty ; owl:inverseOf ; rdfs:domain :OFBO_0000020 ; rdfs:range [ rdf:type owl:Class ; owl:unionOf ( :OFBO_0000010 :OFBO_0000031 ) ] ; rdfs:label "is property of"@en ; "A relation between a property and a chemical entity or physico-chemical process that the property characterizes or is attributed to."@en . ### http://semanticscience.org/resource/SIO_000223 rdf:type owl:ObjectProperty ; rdfs:domain [ rdf:type owl:Class ; owl:unionOf ( :OFBO_0000010 :OFBO_0000031 ) ] ; rdfs:range :OFBO_0000020 ; rdfs:label "has property"@en ; "A relation between a chemical entity or physico-chemical process and a property that characterizes or is attributed to that entity or process."@en . ### https://w3id.org/ofbo#OFBO_0009203 :OFBO_0009203 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf ; rdfs:domain :OFBO_0000014 ; rdfs:range :OFBO_0000010 ; rdfs:label "has chemical constituent"@en ; "Relates a chemical system to a chemical entity that is a constituent of that system, such as a solvent, solute, electrolyte, active material, additive, or ion."@en . ### https://w3id.org/ofbo#OFBO_0009204 :OFBO_0009204 rdf:type owl:ObjectProperty ; rdfs:domain :OFBO_0000032 ; rdfs:range :OFBO_0000033 ; rdfs:isDefinedBy ; rdfs:label "has process specification"@en ; "Relates a planned process to a process specification that describes a configured, controlled, or selected aspect of that process."@en . ### https://w3id.org/ofbo#OFBO_0009206 :OFBO_0009206 rdf:type owl:ObjectProperty ; owl:inverseOf :OFBO_0009207 ; rdfs:domain :OFBO_0000011 ; rdfs:range :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "has reaction"@en ; "Relates a molecular entity to a reaction with which it is associated. This relation does not specify whether the molecular entity is a reactant, product, oxidized form, reduced form, or another reaction participant."@en . ### https://w3id.org/ofbo#OFBO_0009207 :OFBO_0009207 rdf:type owl:ObjectProperty ; rdfs:domain :OFBO_0007100 ; rdfs:range :OFBO_0000011 ; rdfs:isDefinedBy ; rdfs:label "is reaction of"@en ; "Relates a reaction to a molecular entity with which it is associated. This relation does not specify whether the molecular entity is a reactant, product, oxidized form, reduced form, or another reaction participant."@en . ################################################################# # Data properties ################################################################# ### http://qudt.org/schema/qudt/numericValue rdf:type owl:DatatypeProperty ; rdfs:domain [ rdf:type owl:Class ; owl:unionOf ( :OFBO_0000020 :OFBO_0000033 ) ] ; rdfs:range xsd:decimal . ### http://qudt.org/schema/qudt/stringValue rdf:type owl:DatatypeProperty ; rdfs:range xsd:string . ### http://schema.org/algorithm rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0008002 ; rdfs:range xsd:string ; rdfs:label "algorithm" ; "The algorithm or rules to follow to compute the score." . ### http://schema.org/chemicalComposition rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0000010 ; rdfs:range xsd:string ; rdfs:label "chemical composition" ; "The chemical composition describes the identity and relative ratio of the chemical elements that make up the substance." . ### http://schema.org/hasRepresentation rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0000010 ; rdfs:range xsd:string ; rdfs:label "has representation" ; "A common representation such as a protein sequence or chemical structure for this entity. For images use schema.org/image." . ### http://schema.org/inChIKey rdf:type owl:DatatypeProperty ; rdfs:subPropertyOf ; rdfs:domain :OFBO_0000010 ; rdfs:range xsd:string ; rdfs:label "inchikey" ; "InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm)." . ### http://schema.org/iupacName rdf:type owl:DatatypeProperty ; rdfs:subPropertyOf ; rdfs:domain :OFBO_0000010 ; rdfs:range xsd:string ; rdfs:label "iupac name" ; "Systematic method of naming chemical compounds as recommended by the International Union of Pure and Applied Chemistry (IUPAC)." . ### http://schema.org/smiles rdf:type owl:DatatypeProperty ; rdfs:subPropertyOf ; rdfs:domain :OFBO_0000010 ; rdfs:range xsd:string ; rdfs:label "smiles" ; "A specification in form of a line notation for describing the structure of chemical species using short ASCII strings. Double bond stereochemistry \\ indicators may need to be escaped in the string in formats where the backslash is an escape character." . ### https://w3id.org/ofbo#OFBO_0009101 :OFBO_0009101 rdf:type owl:DatatypeProperty ; rdfs:subPropertyOf ; rdfs:domain :OFBO_0000011 ; rdfs:range xsd:string ; rdfs:label "has core SMILES"@en ; "Relates a molecular entity to a SMILES string representing its core structural scaffold."@en . ### https://w3id.org/ofbo#OFBO_0009102 :OFBO_0009102 rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0008000 ; rdfs:range xsd:string ; rdfs:label "has level of theory"@en ; "Relates a computational process to the reported level of theory, such as B3LYP, PBE0-D3, or HF-3c."@en . ### https://w3id.org/ofbo#OFBO_0009202 :OFBO_0009202 rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0001104 ; rdfs:range xsd:string ; rdfs:comment "Examples include SHE, NHE, Ag/AgCl, saturated calomel electrode, and ferrocene/ferrocenium."@en ; rdfs:isDefinedBy ; rdfs:label "has potential reference"@en ; "Relates an electrochemical potential quantity to the reference system against which the potential is reported."@en . ### https://w3id.org/ofbo#OFBO_0009205 :OFBO_0009205 rdf:type owl:DatatypeProperty ; rdfs:domain :OFBO_0007120 ; rdfs:range xsd:positiveInteger ; rdfs:isDefinedBy ; rdfs:label "has electron transfer number"@en ; "Relates an electrochemical reaction to the positive integer number of electrons transferred in that reaction."@en . ################################################################# # Classes ################################################################# ### http://purl.obolibrary.org/obo/BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; "entity" ; "Entity" ; "Julius Caesar"@en , "Verdi’s Requiem"@en , "the Second World War"@en , "your body mass index"@en ; "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en , "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; rdfs:isDefinedBy ; rdfs:label "entity"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; ; rdfs:comment "per discussion with Barry Smith" ; rdfs:seeAlso ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; ] . ### http://purl.obolibrary.org/obo/BFO_0000002 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "continuant" ; "Continuant" ; "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en , "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en , "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " , "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " , "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " , "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; rdfs:isDefinedBy ; rdfs:label "continuant"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000003 rdf:type owl:Class ; rdfs:subClassOf ; "occurrent" ; "Occurrent" ; "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en , "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " , "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; rdfs:isDefinedBy ; rdfs:label "occurrent"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en ; ; rdfs:comment "per discussion with Barry Smith" ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000004 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith , ; "ic" ; "IndependentContinuant" ; "a chair"@en , "a heart"@en , "a leg"@en , "a molecule"@en , "a spatial region"@en , "an atom"@en , "an orchestra."@en , "an organism"@en , "the bottom right portion of a human torso"@en , "the interior of your mouth"@en ; "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en , "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; rdfs:isDefinedBy ; rdfs:label "independent continuant"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000006 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith , ; "s-region" ; "SpatialRegion" ; "BFO 2 Reference: Spatial regions do not participate in processes."@en , "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " , "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; rdfs:isDefinedBy ; rdfs:label "spatial region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; ; rdfs:comment "per discussion with Barry Smith" ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000008 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith , , ; "t-region" ; "TemporalRegion" ; "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en , "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " , "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " , "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; rdfs:isDefinedBy ; rdfs:label "temporal region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; ; rdfs:comment "per discussion with Barry Smith" ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000009 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "2d-s-region" ; "TwoDimensionalSpatialRegion" ; "an infinitely thin plane in space."@en , "the surface of a sphere-shaped part of space"@en ; "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; rdfs:isDefinedBy ; rdfs:label "two-dimensional spatial region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000011 rdf:type owl:Class ; rdfs:subClassOf ; "st-region" ; "SpatiotemporalRegion" ; "the spatiotemporal region occupied by a human life"@en , "the spatiotemporal region occupied by a process of cellular meiosis."@en , "the spatiotemporal region occupied by the development of a cancer tumor"@en ; "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en , "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en , "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en , "Every spatiotemporal region occupies_spatiotemporal_region itself."@en , "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " , "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " , "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " , "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " , "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; rdfs:isDefinedBy ; rdfs:label "spatiotemporal region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000015 rdf:type owl:Class ; owl:equivalentClass :OFBO_0000030 ; rdfs:subClassOf ; "process" ; "Process" ; "a process of cell-division, \\ a beating of the heart"@en , "a process of meiosis"@en , "a process of sleeping"@en , "the course of a disease"@en , "the flight of a bird"@en , "the life of an organism"@en , "your process of aging."@en ; "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; rdfs:isDefinedBy ; rdfs:label "process"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000016 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "disposition" ; "Disposition" ; "an atom of element X has the disposition to decay to an atom of element Y"@en , "certain people have a predisposition to colon cancer"@en , "children are innately disposed to categorize objects in certain ways."@en , "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en ; "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en ; "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " , "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; rdfs:isDefinedBy ; rdfs:label "disposition"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000017 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "realizable" ; "RealizableEntity" ; "the disposition of this piece of metal to conduct electricity."@en , "the disposition of your blood to coagulate"@en , "the function of your reproductive organs"@en , "the role of being a doctor"@en , "the role of this boundary to delineate where Utah and Colorado meet"@en ; "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; rdfs:isDefinedBy ; rdfs:label "realizable entity"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000018 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "0d-s-region" ; "ZeroDimensionalSpatialRegion" ; "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; rdfs:isDefinedBy ; rdfs:label "zero-dimensional spatial region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000019 rdf:type owl:Class ; rdfs:subClassOf ; "quality" ; "Quality" ; "the ambient temperature of this portion of air"@en , "the color of a tomato"@en , "the length of the circumference of your waist"@en , "the mass of this piece of gold."@en , "the shape of your nose"@en , "the shape of your nostril"@en ; "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " , "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; rdfs:isDefinedBy ; rdfs:label "quality"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000020 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "sdc" ; "SpecificallyDependentContinuant" ; "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en , "of one-sided specifically dependent continuants: the mass of this tomato"@en , "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en , "the disposition of this fish to decay"@en , "the function of this heart: to pump blood"@en , "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en , "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en , "the pink color of a medium rare piece of grilled filet mignon at its center"@en , "the role of being a doctor"@en , "the shape of this hole."@en , "the smell of this portion of mozzarella"@en ; "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; rdfs:isDefinedBy ; rdfs:label "specifically dependent continuant"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; ; rdfs:comment "per discussion with Barry Smith" ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000023 rdf:type owl:Class ; rdfs:subClassOf ; "role" ; "Role" ; "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , "the priest role"@en , "the role of a boundary to demarcate two neighboring administrative territories"@en , "the role of a building in serving as a military target"@en , "the role of a stone in marking a property boundary"@en , "the role of subject in a clinical trial"@en , "the student role"@en ; "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; rdfs:isDefinedBy ; rdfs:label "role"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000024 rdf:type owl:Class ; rdfs:subClassOf ; "fiat-object-part" ; "FiatObjectPart" ; "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29"@en , "the FMA:regional parts of an intact human body."@en , "the Western hemisphere of the Earth"@en , "the division of the brain into regions"@en , "the division of the planet into hemispheres"@en , "the dorsal and ventral surfaces of the body"@en , "the upper and lower lobes of the left lung"@en ; "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions"@en ; "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; rdfs:isDefinedBy ; rdfs:label "fiat object part"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000026 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "1d-s-region" ; "OneDimensionalSpatialRegion" ; "an edge of a cube-shaped portion of space."@en ; "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; rdfs:isDefinedBy ; rdfs:label "one-dimensional spatial region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000027 rdf:type owl:Class ; rdfs:subClassOf ; "object-aggregate" ; "ObjectAggregate" ; "a collection of cells in a blood biobank."@en , "a swarm of bees is an aggregate of members who are linked together through natural bonds"@en , "a symphony orchestra"@en , "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)"@en , "defined by fiat: the aggregate of members of an organization"@en , "defined through physical attachment: the aggregate of atoms in a lump of granite"@en , "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container"@en , "defined via attributive delimitations such as: the patients in this hospital"@en , "the aggregate of bearings in a constant velocity axle joint"@en , "the aggregate of blood cells in your body"@en , "the nitrogen atoms in the atmosphere"@en , "the restaurants in Palo Alto"@en , "your collection of Meissen ceramic plates."@en ; "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)."@en , "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; rdfs:isDefinedBy ; rdfs:label "object aggregate"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000028 rdf:type owl:Class ; rdfs:subClassOf ; "3d-s-region" ; "ThreeDimensionalSpatialRegion" ; "a cube-shaped region of space"@en , "a sphere-shaped region of space,"@en ; "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; rdfs:isDefinedBy ; rdfs:label "three-dimensional spatial region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000029 rdf:type owl:Class ; rdfs:subClassOf ; "site" ; "Site" ; "Manhattan Canyon)"@en , "a hole in the interior of a portion of cheese"@en , "a rabbit hole"@en , "an air traffic control region defined in the airspace above an airport"@en , "the Grand Canyon"@en , "the Piazza San Marco"@en , "the cockpit of an aircraft"@en , "the hold of a ship"@en , "the interior of a kangaroo pouch"@en , "the interior of the trunk of your car"@en , "the interior of your bedroom"@en , "the interior of your office"@en , "the interior of your refrigerator"@en , "the lumen of your gut"@en , "your left nostril (a fiat part – the opening – of your left nasal cavity)"@en ; "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; rdfs:isDefinedBy ; rdfs:label "site"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000030 rdf:type owl:Class ; rdfs:subClassOf ; "object" ; "Object" ; "atom"@en , "cell"@en , "cells and organisms"@en , "engineered artifacts"@en , "grain of sand"@en , "molecule"@en , "organelle"@en , "organism"@en , "planet"@en , "solid portions of matter"@en , "star"@en ; "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting."@en , "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)."@en , "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47"@en , "BFO 2 Reference: an object is a maximal causally unified material entity"@en , "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74"@en ; "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; rdfs:isDefinedBy ; rdfs:label "object"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; ] . ### http://purl.obolibrary.org/obo/BFO_0000031 rdf:type owl:Class ; rdfs:subClassOf ; "gdc" ; "GenericallyDependentContinuant" ; "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en , "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en , "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; rdfs:isDefinedBy ; rdfs:label "generically dependent continuant"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000034 rdf:type owl:Class ; rdfs:subClassOf ; "function" ; "Function" ; "the function of a hammer to drive in nails"@en , "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en , "the function of amylase in saliva to break down starch into sugar"@en ; "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en ; "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; rdfs:isDefinedBy ; rdfs:label "function"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000035 rdf:type owl:Class ; rdfs:subClassOf ; "p-boundary" ; "ProcessBoundary" ; "the boundary between the 2nd and 3rd year of your life."@en ; "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " , "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; rdfs:isDefinedBy ; rdfs:label "process boundary"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000038 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "1d-t-region" ; "OneDimensionalTemporalRegion" ; "the temporal region during which a process occurs."@en ; "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)."@en ; "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; rdfs:isDefinedBy ; rdfs:label "one-dimensional temporal region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000040 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "material" ; "MaterialEntity" ; "material entity"@en ; "a flame"@en , "a forest fire"@en , "a human being"@en , "a hurricane"@en , "a photon"@en , "a puff of smoke"@en , "a sea wave"@en , "a tornado"@en , "an aggregate of human beings."@en , "an energy wave"@en , "an epidemic"@en , "the undetached arm of a human being"@en ; "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en , "Elucidation: An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; ; "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " , "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " , "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; rdfs:isDefinedBy ; rdfs:label "material entity"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000140 rdf:type owl:Class ; rdfs:subClassOf ; "cf-boundary" ; "ContinuantFiatBoundary" ; "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions."@en , "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29"@en , "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; "Every continuant fiat boundary is located at some spatial region at every time at which it exists"@en ; "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; rdfs:isDefinedBy ; rdfs:label "continuant fiat boundary"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000141 rdf:type owl:Class ; rdfs:subClassOf ; "immaterial" ; "ImmaterialEntity" ; "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10"@en ; rdfs:isDefinedBy ; rdfs:label "immaterial entity"@en . ### http://purl.obolibrary.org/obo/BFO_0000142 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith , ; "1d-cf-boundary" ; "OneDimensionalContinuantFiatBoundary" ; "The Equator"@en , "all geopolitical boundaries"@en , "all lines of latitude and longitude"@en , "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin."@en , "the median sulcus of your tongue"@en ; "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; rdfs:isDefinedBy ; rdfs:label "one-dimensional continuant fiat boundary"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000144 rdf:type owl:Class ; rdfs:subClassOf ; owl:disjointWith ; "process-profile" ; "ProcessProfile" ; "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels"@en , "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance."@en , "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on."@en ; "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " , "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; rdfs:isDefinedBy ; rdfs:label "process profile"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000145 rdf:type owl:Class ; rdfs:subClassOf ; "r-quality" ; "RelationalQuality" ; "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , "a marriage bond, an instance of requited love, an obligation between one person and another."@en ; "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; rdfs:isDefinedBy ; rdfs:label "relational quality"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000146 rdf:type owl:Class ; rdfs:subClassOf ; "2d-cf-boundary" ; "TwoDimensionalContinuantFiatBoundary" ; "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; rdfs:isDefinedBy ; rdfs:label "two-dimensional continuant fiat boundary"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000147 rdf:type owl:Class ; rdfs:subClassOf ; "0d-cf-boundary" ; "ZeroDimensionalContinuantFiatBoundary" ; "the geographic North Pole"@en , "the point of origin of some spatial coordinate system."@en , "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet"@en ; "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; rdfs:isDefinedBy ; rdfs:label "zero-dimensional continuant fiat boundary"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; ; rdfs:comment "requested by Melanie Courtot" ; rdfs:seeAlso ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000148 rdf:type owl:Class ; rdfs:subClassOf ; "0d-t-region" ; "ZeroDimensionalTemporalRegion" ; "a temporal region that is occupied by a process boundary"@en , "right now"@en , "the moment at which a child is born"@en , "the moment at which a finger is detached in an industrial accident"@en , "the moment of death."@en ; "temporal instant."@en ; "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; rdfs:isDefinedBy ; rdfs:label "zero-dimensional temporal region"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; ] . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; ] . ### http://purl.obolibrary.org/obo/BFO_0000182 rdf:type owl:Class ; rdfs:subClassOf ; "history" ; "History" ; "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; rdfs:isDefinedBy ; rdfs:label "history"@en . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; ] . ### http://purl.obolibrary.org/obo/CHEBI_23367 rdf:type owl:Class ; rdfs:subClassOf ; "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." ; "chebi_ontology" ; "CHEBI:23367" ; ; rdfs:label "molecular entity" . ### http://purl.obolibrary.org/obo/CHEBI_24431 rdf:type owl:Class ; owl:equivalentClass :OFBO_0000010 ; rdfs:subClassOf ; "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." ; "chebi_ontology" ; "CHEBI:24431" ; ; rdfs:label "chemical entity" . ### http://purl.obolibrary.org/obo/CHEBI_24433 rdf:type owl:Class ; rdfs:subClassOf , [ rdf:type owl:Restriction ; owl:onProperty ; owl:someValuesFrom ] ; "A defined linked collection of atoms or a single atom within a molecular entity." ; "chebi_ontology" ; "CHEBI:24433" ; ; rdfs:label "group" . ### http://purl.obolibrary.org/obo/CHEBI_33250 rdf:type owl:Class ; rdfs:subClassOf ; "A chemical entity constituting the smallest component of an element having the chemical properties of the element." ; "CHEBI:22671" , "CHEBI:23907" ; "chebi_ontology" ; "CHEBI:33250" ; ; rdfs:label "atom" . ### http://purl.obolibrary.org/obo/CHEBI_50906 rdf:type owl:Class ; owl:equivalentClass :OFBO_0000040 ; rdfs:subClassOf ; "A role is particular behaviour which a material entity may exhibit." ; "chebi_ontology" ; "CHEBI:50906" ; ; rdfs:label "role" . ### http://purl.obolibrary.org/obo/CHEBI_51086 rdf:type owl:Class ; rdfs:subClassOf ; "A role played by the molecular entity or part thereof within a chemical context." ; "chebi_ontology" ; "CHEBI:51086" ; ; rdfs:label "chemical role" . ### http://purl.obolibrary.org/obo/COB_0000082 rdf:type owl:Class ; rdfs:subClassOf ; "A process that is initiated by an agent who intends to carry out a plan to achieve an objective through one or more actions as described in a plan specification."@en ; rdfs:label "planned process"@en . ### http://purl.obolibrary.org/obo/OBI_0002076 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Restriction ; owl:onProperty ; owl:allValuesFrom ] ) ; rdf:type owl:Class ] ; rdfs:subClassOf ; "collection of specimens"@en ; "Blood cells collected from multiple donors over the course of a study."@en ; "A material entity that has two or more specimens as its parts."@en ; "Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/" ; "Person: Chris Stoeckert, Jie Zheng"@en ; "OBIB, OBI" ; "Biobank" ; rdfs:label "collection of specimens"@en . ### http://purl.obolibrary.org/obo/OBI_0100051 rdf:type owl:Class ; rdfs:subClassOf ; "specimen"@en ; "Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen; collecting a stone from a site."@en ; "A material entity that is collected for potential use as an input upon which measurements or observations are performed."@en ; "PERSON: James Malone" , "PERSON: Philippe Rocca-Serra" ; "GROUP: OBI Biomaterial Branch"@en ; ; rdfs:label "specimen"@en . ### http://purl.obolibrary.org/obo/REX_0000001 rdf:type owl:Class ; rdfs:subClassOf ; "A phenomenon by which change takes place in a system. In physiological systems, a process may be chemical, physical or both." ; "rex.obo" ; "physico-chemical process" ; "REX:0000001" ; rdfs:label "process" . [ rdf:type owl:Axiom ; owl:annotatedSource ; owl:annotatedProperty ; owl:annotatedTarget "A phenomenon by which change takes place in a system. In physiological systems, a process may be chemical, physical or both." ; "http://goldbook.iupac.org/P04858.html" ] . ### http://qudt.org/schema/qudt/Unit rdf:type owl:Class . ### http://schema.org/Organization rdf:type owl:Class ; rdfs:subClassOf . ### http://www.w3.org/ns/prov#Entity rdf:type owl:Class . ### http://www.w3.org/ns/prov#Organization rdf:type owl:Class . ### http://www.w3.org/ns/prov#Person rdf:type owl:Class . ### http://www.w3.org/ns/prov/Organization rdf:type owl:Class . ### http://xmlns.com/foaf/0.1/Person rdf:type owl:Class ; rdfs:subClassOf . ### https://w3id.org/ofbo#OFBO_0000010 :OFBO_0000010 rdf:type owl:Class ; owl:disjointWith :OFBO_0000020 , :OFBO_0000030 , :OFBO_0000040 ; rdfs:isDefinedBy ; rdfs:label "chemical entity"@en ; "A chemical entity is a physical entity of interest in chemistry, including molecular entities, parts of molecular entities, and chemical substances. For example, an anthraquinone molecule used as a redox-active species, a quinone functional group, and an electrolyte chemical substance are chemical entities."@en . ### https://w3id.org/ofbo#OFBO_0000011 :OFBO_0000011 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000010 ; rdfs:isDefinedBy ; rdfs:label "molecular entity"@en ; "A molecular entity is any constitutionally or isotopically distinct atom, molecule, ion, radical, or complex, considered as a discrete chemical unit."@en ; . ### https://w3id.org/ofbo#OFBO_0000012 :OFBO_0000012 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000011 ; rdfs:isDefinedBy ; rdfs:label "molecule"@en ; "A molecule is a chemically bonded assembly of two or more atoms that behaves as a discrete chemical unit. It has a defined composition, structure, and connectivity, and can exist in various physical and electronic states, including specific geometries, charge states, and spin multiplicities."@en ; . ### https://w3id.org/ofbo#OFBO_0000013 :OFBO_0000013 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000010 ; rdfs:isDefinedBy ; rdfs:label "group"@en ; "A group is a recurring substructure or arrangement of atoms within a molecular entity (such as a functional group) that confers characteristic chemical behavior, independent of the rest of the molecular structure in which it occurs."@en ; . ### https://w3id.org/ofbo#OFBO_0000014 :OFBO_0000014 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000010 ; rdfs:isDefinedBy ; rdfs:label "chemical system"@en ; "A chemical system is a chemical entity consisting of one or more chemical entities considered together in a defined composition, environment, or experimental context. A chemical system may include solvents, solutes, electrolytes, active materials, additives, ions, and other chemical constituents."@en . ### https://w3id.org/ofbo#OFBO_0000020 :OFBO_0000020 rdf:type owl:Class ; owl:equivalentClass ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty ; owl:someValuesFrom [ rdf:type owl:Class ; owl:unionOf ( :OFBO_0000010 :OFBO_0000031 ) ] ] ; owl:disjointWith :OFBO_0000030 , :OFBO_0000040 ; rdfs:isDefinedBy ; rdfs:label "property"@en ; "A property is a collection class for entities that are either qualities, which represent states, or realizable entities, which represent behaviours. For example, the viscosity of a redox flow battery electrolyte is a quality, whereas the role of a molecule as an active material is a realizable entity."@en . ### https://w3id.org/ofbo#OFBO_0000021 :OFBO_0000021 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000020 ; rdfs:isDefinedBy ; rdfs:label "chemical property"@en ; "A chemical property is a property that describes the chemical behavior of an entity, such as its reactivity, electronic structure, acid–base character, or redox behavior, as opposed to its physical or bulk-phase behavior."@en ; . ### https://w3id.org/ofbo#OFBO_0000022 :OFBO_0000022 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000020 ; rdfs:isDefinedBy ; rdfs:label "thermodynamic property"@en ; "A thermodynamic property describes the energetic and entropic state of a molecule or system, capturing how energy, heat, and entropy influence chemical processes and stability."@en ; ; :relevance "These properties determine reaction spontaneity, stability, solvation, and degradation tendencies of electrolyte components. They are essential for predicting thermodynamic favorability, reaction equilibria, and molecular behavior under different temperature and pressure conditions." . ### https://w3id.org/ofbo#OFBO_0000023 :OFBO_0000023 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000020 ; rdfs:isDefinedBy ; rdfs:label "fluid mechanics property"@en ; "A fluid dynamics property describes the collective physical behavior of molecules and ions in condensed, flowing phases, including their motion, flow resistance, and packing. It reflects how microscopic interactions translate into macroscopic observable bulk-phase behavior."@en ; ; :relevance "These properties determine ionic mobility, conductivity, viscosity, density, and overall performance of electrolytes in electrochemical devices. They are critical for understanding fluid behavior under operating conditions in flow battery systems." . ### https://w3id.org/ofbo#OFBO_0000024 :OFBO_0000024 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000020 ; rdfs:isDefinedBy ; rdfs:label "characterization property"@en ; "A characterization property describes an observable signature of a chemical entity obtained through spectroscopic or analytical techniques, used to confirm its identity, structure, or electronic environment."@en ; . ### https://w3id.org/ofbo#OFBO_0000030 :OFBO_0000030 rdf:type owl:Class ; owl:disjointWith :OFBO_0000040 ; rdfs:isDefinedBy ; rdfs:label "process"@en ; "A process is an occurrent with temporal proper parts that, at some time during its course, specifically depends on a material entity. For example, charging a redox flow battery is a process because it unfolds over time and depends on material entities such as electrolyte species, electrodes, and the cell."@en . ### https://w3id.org/ofbo#OFBO_0000031 :OFBO_0000031 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000030 ; rdfs:isDefinedBy ; rdfs:label "physico-chemical process"@en ; "A physico-chemical process is a process involving physical or chemical change among chemical entities, including interactions, reactions, and transformations of molecular structure or state."@en ; . ### https://w3id.org/ofbo#OFBO_0000032 :OFBO_0000032 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000030 ; rdfs:isDefinedBy ; rdfs:label "planned process"@en ; "A planned process is a process that realizes an intentional plan or protocol, such as a computational calculation or a laboratory experiment, carried out to obtain data about a chemical entity or property."@en ; . ### https://w3id.org/ofbo#OFBO_0000033 :OFBO_0000033 rdf:type owl:Class ; rdfs:subClassOf ; rdfs:isDefinedBy ; rdfs:label "process specification"@en ; "A process specification is an information entity that specifies a configured, controlled, or selected aspect of a planned process."@en . ### https://w3id.org/ofbo#OFBO_0000034 :OFBO_0000034 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000033 ; rdfs:isDefinedBy ; rdfs:label "cyclic voltammetry specification"@en ; "A process specification that specifies an aspect of a cyclic voltammetry process."@en . ### https://w3id.org/ofbo#OFBO_0000035 :OFBO_0000035 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000033 ; rdfs:isDefinedBy ; rdfs:label "implicit solvation model"@en ; "A process specification describing a computational model that represents solvent effects as a continuous dielectric medium rather than as explicit solvent molecules. Examples include PCM, CPCM, COSMO, SMD, and SM8."@en . ### https://w3id.org/ofbo#OFBO_0000040 :OFBO_0000040 rdf:type owl:Class ; rdfs:isDefinedBy ; rdfs:label "role"@en ; "A role is a particular behaviour that a material entity may exhibit in a given context. For example, an organic molecule exhibits an active-material role when it participates in reversible charge storage in a redox flow battery."@en . ### https://w3id.org/ofbo#OFBO_0000041 :OFBO_0000041 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000040 , [ rdf:type owl:Restriction ; owl:onProperty ; owl:someValuesFrom :OFBO_0000010 ] ; rdfs:isDefinedBy ; rdfs:label "chemical role"@en ; "A chemical role is a role realized by a chemical entity in virtue of its participation in a chemical system, such as acting as a solvent, electrolyte, or active material."@en ; . ### https://w3id.org/ofbo#OFBO_0001000 :OFBO_0001000 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "acid base property"@en ; "An acid–base property describes the ability of a molecule or solvent to donate or accept protons or electron density, characterizing its behavior as a Brønsted or Lewis acid or base."@en ; :relevance "Acid–base properties govern proton transfer, ion coordination, and solvation behavior in electrolytes. They influence salt dissociation, ion pairing, interfacial reactions, and chemical stability of electrolyte components." . ### https://w3id.org/ofbo#OFBO_0001010 :OFBO_0001010 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001000 ; rdfs:comment """GB is defined as: GB = −ΔG° (protonation) It is closely related to proton affinity (PA): PA = −ΔH° (protonation) and GB ≈ PA − TΔS° Typical values for small organic molecules range from approximately 600 to 950 kJ mol⁻¹. For example, water has a gas-phase basicity of about 660 kJ mol⁻¹, while amines typically range from 800 to 900 kJ mol⁻¹.""" ; rdfs:isDefinedBy ; rdfs:label "basicity"@en ; """Gas-phase basicity (GB) is the negative standard Gibbs free energy change for the protonation of a neutral molecule B in the gas phase: B (g) + H⁺ (g) → BH⁺ (g) It quantifies the intrinsic tendency of a molecule to accept a proton in the absence of solvent effects."""@en ; :canonicalUnit ; :relevance "Gas-phase basicity provides an intrinsic measure of proton affinity that is independent of solvent effects. In organic redox flow batteries, lower gas-phase basicity can correlate with reduced susceptibility to protonation reactions that may trigger decomposition or alter redox activity in electrolyte environments." . ### https://w3id.org/ofbo#OFBO_0001011 :OFBO_0001011 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001000 ; rdfs:comment """PA = -\\Delta H^{\\circ}_{\\text{protonation}} Proton affinity is typically reported in kJ mol⁻¹ and represents the enthalpic component of proton binding. It is closely related to gas-phase basicity (GB), which includes entropic contributions: GB = −ΔG° of protonation and therefore GB ≈ PA − TΔS° Typical proton affinity values for small molecules range from roughly 600 to 1000 kJ mol⁻¹. For example: water ≈ 697 kJ mol⁻¹ ammonia ≈ 854 kJ mol⁻¹ many amines ≈ 900–1000 kJ mol⁻¹""" ; rdfs:isDefinedBy ; rdfs:label "proton affinity"@en ; """Proton affinity (PA) is the negative of the standard enthalpy change for the protonation of a neutral molecule in the gas phase: B (g) + H⁺ (g) → BH⁺ (g) It quantifies the intrinsic tendency of a molecule to bind a proton in the absence of solvent effects."""@en ; :canonicalUnit ; :relevance "Proton affinity provides an intrinsic measure of a molecule's ability to bind protons without solvent effects. For organic redox flow battery molecules, this property is useful for understanding protonation tendencies and the stability of protonated intermediates. Proton affinity can therefore help rationalize proton-coupled electron transfer reactions and complement solution-phase descriptors such as pKa when evaluating redox-active molecules." ; :rfbLiterature "https://doi.org/10.1038/srep39101" . ### https://w3id.org/ofbo#OFBO_0001012 :OFBO_0001012 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001000 ; rdfs:isDefinedBy ; rdfs:label "solvent acidity basicity"@en ; "A solvent acidity/basicity property describes the ability of a solvent to donate or accept electrons or protons. It captures how the solvent interacts with solutes, influencing solvation, hydrogen bonding, and reaction energetics."@en ; :relevance "These properties determine how solvents stabilize ions and molecules in electrolyte solutions. They influence solubility, charge distribution, and reactivity, and are critical for predicting solvent effects on chemical and electrochemical behavior." . ### https://w3id.org/ofbo#OFBO_0001013 :OFBO_0001013 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001012 ; rdfs:comment """The acceptor number quantifies the ability of a solvent to accept electron density from a Lewis base. It is determined relative to a reference scale in which hexane is assigned an acceptor number of zero. Higher AN values indicate stronger Lewis acidity of the solvent and greater ability to stabilize anions or electron-rich species. Typical examples include: hexane ≈ 0 acetonitrile ≈ 19 water ≈ 54""" ; rdfs:isDefinedBy ; rdfs:label "acceptor number"@en ; "The acceptor number (AN) is an empirical measure of the Lewis acidity of a solvent. It is defined from the shift in the 31P NMR chemical shift of a standard probe molecule, typically triethylphosphine oxide (TEPO), when dissolved in the solvent."@en ; :canonicalUnit ; :relevance "The acceptor number describes how strongly a solvent can interact with electron-rich species. In organic redox flow batteries, this property influences the stabilization of reduced redox-active molecules, anions, and intermediate species formed during electrochemical reactions. As a result, the acceptor number can affect electrolyte stability, reaction mechanisms, and the electrochemical behavior of organic redox couples." ; :rfbLiterature "https://doi.org/10.1016/j.joule.2018.05.014" . ### https://w3id.org/ofbo#OFBO_0001014 :OFBO_0001014 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001012 ; rdfs:comment """Donor number represents the ability of a solvent to donate electron density to a Lewis acid. It corresponds to the enthalpy change of the reaction: solvent + SbCl5 → solvent–SbCl5 adduct DN = −ΔH° (adduct formation) The donor number is typically expressed in kcal/mol. Higher donor numbers indicate stronger electron-pair donating ability and stronger coordination to cations. Typical examples include: water ≈ 18 acetonitrile ≈ 14 tetrahydrofuran (THF) ≈ 20 dimethyl sulfoxide (DMSO) ≈ 30""" ; rdfs:isDefinedBy ; rdfs:label "donor number"@en ; "The donor number (DN) is a quantitative measure of the Lewis basicity of a solvent. It is defined as the negative enthalpy of formation of the adduct between the solvent and a standard Lewis acid, typically antimony pentachloride (SbCl5), measured in a non-coordinating solvent."@en ; :canonicalUnit ; :relevance "In organic redox flow battery electrolytes, the donor number influences the ability of solvent molecules to coordinate to cations such as supporting electrolyte ions or charged redox-active species. Solvents with higher donor numbers tend to stabilize cations more strongly, affecting ion pairing, solvation structure, and the redox potentials of dissolved organic molecules." ; :rfbLiterature "https://doi.org/10.1016/j.joule.2018.05.014" . ### https://w3id.org/ofbo#OFBO_0001015 :OFBO_0001015 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001000 ; rdfs:comment """pK_a = -\\log_{10}(K_a) where Ka = [A⁻][H⁺] / [HA] Lower pKa values indicate stronger acids, while higher pKa values correspond to weaker acids. Typical ranges in aqueous solution: strong acids: pKa < 0 carboxylic acids: pKa ≈ 3–5 phenols: pKa ≈ 9–11 alcohols: pKa ≈ 15–18 The pKa value depends on the solvent environment, temperature, and molecular structure.""" ; rdfs:isDefinedBy ; rdfs:label "pKa"@en ; """The pKa of a molecule is the negative base-10 logarithm of the acid dissociation constant (Ka) for the equilibrium between a protonated species and its conjugate base in solution: HA ⇌ A⁻ + H⁺ It quantifies the tendency of a molecule to donate a proton in a given solvent, typically water."""@en ; ; :canonicalUnit ; :relevance "pKa values determine the protonation state of redox-active molecules in electrolyte solutions and therefore influence their redox chemistry. In systems where electron transfer is coupled to proton transfer (proton-coupled electron transfer, PCET), pKa values of the oxidized and reduced species control the pH dependence of the redox potential. This relationship allows estimation of redox potentials at different pH values using thermodynamic cycles and the Nernst equation. Consequently, pKa is an important descriptor for predicting electrochemical stability, redox potential shifts, and reaction pathways in organic redox flow battery electrolytes." ; :rfbLiterature "https://doi.org/10.1038/srep39101" . ### https://w3id.org/ofbo#OFBO_0001016 :OFBO_0001016 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001000 ; rdfs:comment """pH is defined as: pH = −log₁₀(a_H⁺) where a_H⁺ is the activity of hydrogen ions in a solution. Lower pH values correspond to more acidic conditions, whereas higher pH values correspond to more basic conditions. pH depends on the composition, temperature, ionic strength, and solvent of the electrolyte system."""@en ; rdfs:isDefinedBy ; rdfs:label "pH"@en ; "pH is the negative base-10 logarithm of the activity of hydrogen ions in a solution. It is a measure of the acidity or basicity of an electrolyte system under specified conditions."@en ; :canonicalUnit ; :relevance "pH affects the protonation state, solubility, redox potential, chemical stability, and degradation pathways of organic redox-active molecules. It is particularly important for proton-coupled electron-transfer reactions, in which redox potentials can vary with pH according to the Nernst equation."@en . ### https://w3id.org/ofbo#OFBO_0001100 :OFBO_0001100 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "electrochemical property"@en ; "An electrochemical property describes how a molecule, ion, or material behaves in an electrochemical environment, including its tendency to undergo oxidation or reduction and its response to applied electrical potentials."@en ; :relevance "Electrochemical properties determine the operational stability, voltage window, and redox activity of electrolyte components. They are essential for predicting electrolyte compatibility with electrodes, resistance to oxidative or reductive degradation, and overall electrochemical performance." . ### https://w3id.org/ofbo#OFBO_0001101 :OFBO_0001101 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001100 ; rdfs:comment """Electrochemical window is typically measured in volts versus a reference electrode and depends on both the oxidation potential of the solvent (upper limit) and the reduction potential (lower limit). Typical ranges for common solvents: water: 1.23 V acetonitrile: ~5.5 V dimethyl sulfoxide (DMSO): ~4.5 V A wider electrochemical window allows higher cell voltages and more energetic storage without solvent degradation.""" ; rdfs:isDefinedBy ; rdfs:label "electrochemical window"@en ; "The electrochemical window of a solvent or electrolyte is the potential range over which it is electrochemically stable, meaning no significant oxidation or reduction of the solvent occurs. It defines the limits within which redox-active species can operate without solvent decomposition."@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, the electrochemical window determines the maximum and minimum voltages that can be safely applied. It constrains the choice of redox-active molecules and solvents and affects energy density, stability, and cycle life. Molecules with redox potentials outside the electrochemical window of the solvent may undergo unwanted side reactions, leading to electrolyte decomposition and reduced battery performance." ; :rfbLiterature "https://doi.org/10.1039/D5RA00296F" . ### https://w3id.org/ofbo#OFBO_0001102 :OFBO_0001102 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001100 ; rdfs:comment """The peak current ratio is calculated as: Peak Current Ratio = Ip,a / Ip,c Ip,a = anodic peak current (oxidation) Ip,c = cathodic peak current (reduction) For a reversible, one-electron redox reaction, the peak current ratio is ideally close to 1. Deviations from 1 indicate quasi-reversible or irreversible behavior, adsorption effects, or kinetic limitations.""" ; rdfs:isDefinedBy ; rdfs:label "peak current ratio"@en ; "The peak current ratio is the ratio of the anodic peak current (Ip,a) to the cathodic peak current (Ip,c) observed in a voltammetric experiment, typically cyclic voltammetry. It is a measure of the symmetry of oxidation and reduction processes for a redox-active species."@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, the peak current ratio is used to assess the reversibility of redox-active molecules. Molecules with peak current ratios near unity indicate fast electron transfer and reversible redox cycling, which are desirable for high-efficiency battery operation. Deviations may signal slow kinetics, chemical instability, or side reactions in the electrolyte." ; :rfbLiterature "https://doi.org/10.1038/srep39101" . ### https://w3id.org/ofbo#OFBO_0001103 :OFBO_0001103 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001100 ; rdfs:comment """ΔEp = Ep,a − Ep,c Ep,a = anodic peak potential (oxidation) Ep,c = cathodic peak potential (reduction) For a reversible, one-electron redox process, ΔEp is ideally 59 mV at 25°C. Larger ΔEp values indicate quasi-reversible or irreversible behavior, slow electron transfer kinetics, or coupled chemical reactions.""" ; rdfs:isDefinedBy ; rdfs:label "peak potential gap"@en ; "The peak potential gap, ΔEp, is the difference between the anodic peak potential (Ep,a) and the cathodic peak potential (Ep,c) in a voltammetric experiment, typically cyclic voltammetry. It reflects the separation between oxidation and reduction peaks of a redox-active species."@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, the peak potential gap provides insight into the kinetic reversibility of redox-active molecules. Small ΔEp values indicate fast, reversible electron transfer, which is desirable for efficient cycling. Large ΔEp may suggest slow electron transfer or chemical instability, which can reduce battery efficiency and cycle life." ; :rfbLiterature "https://doi.org/10.1002/adfm.202312608" . ### https://w3id.org/ofbo#OFBO_0001104 :OFBO_0001104 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001100 , [ rdf:type owl:Restriction ; owl:onProperty :OFBO_0009202 ; owl:someValuesFrom xsd:string ] ; rdfs:comment """Redox potential is measured in volts versus a reference electrode and is defined for a reversible electron-transfer reaction. For a simple one-electron reversible redox reaction: Oxidized + e⁻ ⇌ Reduced The Nernst equation relates the redox potential to concentrations: E = E° + (RT/nF) * ln([Oxidized]/[Reduced]) E° = standard redox potential n = number of electrons transferred R = gas constant T = temperature in Kelvin F = Faraday constant Redox potentials are influenced by solvent, pH, supporting electrolytes, and molecular environment. In proton-coupled electron-transfer reactions, pKa values of the species determine the pH-dependent shift of the redox potential.""" ; rdfs:isDefinedBy ; rdfs:label "redox potential"@en ; ; """The redox potential (standard or formal, E°) of a molecule is the equilibrium potential at which a reversible electrochemical reaction occurs between its oxidized and reduced forms: Oxidized ⇌ Reduced + e⁻ It quantifies the intrinsic tendency of a molecule to gain or lose electrons under standard conditions (typically 25°C, 1 M concentrations, pH 0 or reference pH)."""@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, the redox potential determines the voltage at which a molecule can be oxidized or reduced. Proper alignment of redox potentials for the oxidized/reduced species ensures high energy density, electrochemical reversibility, and stable cycling. Accurate redox potentials are essential for selecting compatible redox-active molecules and predicting their performance under varying pH and electrolyte conditions." ; :rfbLiterature "https://doi.org/10.1038/srep39101" . ### https://w3id.org/ofbo#OFBO_0001200 :OFBO_0001200 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "electronic structure"@en ; "Electronic structure properties describe the distribution, energies, and interactions of electrons in a molecule, ion, or solid as determined by its quantum-mechanical electronic structure."@en ; ; :relevance "Electronic structure properties govern chemical reactivity, redox behavior, stability, and intermolecular interactions of electrolyte components. They provide the fundamental link between molecular structure and observable electrochemical, spectroscopic, and thermodynamic properties, making them central to the rational design and screening of electrolyte materials." . ### https://w3id.org/ofbo#OFBO_0001210 :OFBO_0001210 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "charge property"@en ; ; "Charge properties describe the magnitude, distribution, and transfer of electronic charge within and between molecular or ionic species."@en ; :relevance "Charge properties control electrostatic interactions, ion pairing, solvation strength, and charge transport in electrolyte systems. They are critical for understanding ion mobility, dielectric response, interfacial behavior, and the stability of charged species in solution and under applied electric fields." . ### https://w3id.org/ofbo#OFBO_0001211 :OFBO_0001211 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001210 ; rdfs:comment """The charge delocalization index is typically calculated using electronic structure methods (e.g., DFT) by analyzing the electron density or population analysis (Mulliken, Löwdin, or natural population analysis). Higher values indicate greater delocalization of charge, which can stabilize charged intermediates and lower the reorganization energy during electron transfer. Delocalization indices can be reported globally (whole molecule) or locally (specific functional group or redox-active site).""" ; rdfs:isDefinedBy ; rdfs:label "charge delocalization index"@en ; ; "The charge delocalization index is a quantitative measure of the extent to which electronic charge is spread over a molecule or a part of a molecule, rather than localized on a single atom or bond. It reflects the distribution of electron density in the oxidized or reduced state of a molecule."@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, charge delocalization strongly influences the stability of oxidized and reduced species. Molecules with high charge delocalization are less prone to decomposition and side reactions because the charge is spread over multiple atoms, reducing local reactivity. This also typically leads to lower reorganization energies and faster electron-transfer kinetics, improving battery efficiency and cycle life." . ### https://w3id.org/ofbo#OFBO_0001212 :OFBO_0001212 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001210 ; rdfs:comment """Partial charges are typically computed using quantum chemical methods, such as: Mulliken population analysis Löwdin population analysis Natural Population Analysis (NPA) Electrostatic potential fitting (RESP, CHELPG) These charges can be positive or negative, depending on whether the atom is electron-deficient or electron-rich. Partial atomic charges are not physical observables, but they are widely used to rationalize reactivity, intermolecular interactions, solvation, and electrostatic effects.""" ; rdfs:isDefinedBy ; rdfs:label "partial atomic charges"@en ; ; "Partial atomic charges describe the distribution of electronic charge over individual atoms in a molecule, representing deviations from the neutral atom's nominal charge due to bonding and polarization. They are a measure of how electron density is partitioned within the molecule."@en ; :canonicalUnit ; :relevance """In organic redox flow batteries, partial atomic charges are important for understanding: Solvent and ion interactions (coordination and solvation) Redox behavior (which atoms are more likely to undergo oxidation or reduction) Electrostatic stabilization of charged intermediates Accurate partial charges help predict ion mobility, protonation states, and reactivity patterns of redox-active molecules in electrolyte solutions, and are often used as descriptors in computational screening of ORFB candidates.""" . ### https://w3id.org/ofbo#OFBO_0001220 :OFBO_0001220 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "electric response"@en ; "Electric response properties describe how a molecule, ion, or material responds to external electric fields, including polarization, induced dipoles, and overall dielectric behavior."@en ; :relevance "These properties determine the ability of electrolytes to screen electric fields, stabilize ions, and support charge transport." . ### https://w3id.org/ofbo#OFBO_0001221 :OFBO_0001221 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001220 ; rdfs:comment """Dipole moment μ = Σ_i q_i * r_i, where q_i is the partial charge on atom i and r_i is its position vector relative to the molecular center Typical range for small organic molecules: 0–10 Debye Examples: water ~1.85 D, acetonitrile ~3.9 D""" ; rdfs:isDefinedBy ; rdfs:label "dipole moment"@en ; ; "The dipole moment of a molecule is a vector quantity that measures the separation of positive and negative charge centers within the molecule. It reflects the overall polarity of the molecule and its tendency to interact with electric fields or polar solvents."@en ; :canonicalUnit ; :relevance "Determines polarity and solvation behavior in electrolytes, affecting solubility, ion interactions, and dielectric properties." ; :rfbLiterature "https://doi.org/10.1038/s41597-022-01814-4" . ### https://w3id.org/ofbo#OFBO_0001222 :OFBO_0001222 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001220 ; rdfs:comment """Mathematical notation / calculation: Using atomic charges: V(r) = Σ (qi / |r − Ri|) Using electron density: V(r) = ∫ (ρ(r') / |r − r'|) dr' − Σ (ZA / |r − RA|) Typical range for small organic molecules: ~ −5 to +5 V (rough order of magnitude; depends on molecule and reference point) Examples: Water: negative region near O, positive near H Benzene: relatively uniform ESP over π-system""" ; rdfs:isDefinedBy ; rdfs:label "electrostatic potential"@en ; "The electric potential generated by the molecular charge distribution at a point in space. Calculated from electron density or atomic partial charges."@en ; :canonicalUnit ; :relevance "Identifies reactive sites for electrophilic and nucleophilic attack; predicts ion interactions, solvation patterns, and hydrogen bonding; used in electrostatic potential mapping to visualize polar regions of molecules or ions." . ### https://w3id.org/ofbo#OFBO_0001223 :OFBO_0001223 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001220 ; rdfs:comment """Polarizability α = induced dipole moment μ_induced / applied electric field E Typical range for small organic molecules: ~1–20 ų Examples: water ~1.5 ų, benzene ~10 ų""" ; rdfs:isDefinedBy ; rdfs:label "polarizability"@en ; "Polarizability is a tensor that measures the ease with which the electron cloud of a molecule can be distorted by an external electric field. It reflects the molecule's ability to respond to electric fields and participate in induced dipole interactions."@en ; ; :canonicalUnit ; :relevance "Influences dielectric behavior and intermolecular interactions in electrolytes, affecting solvation and ion mobility." . ### https://w3id.org/ofbo#OFBO_0001230 :OFBO_0001230 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:comment """E = ⟨Ψ|Ĥ_electronic|Ψ⟩, where Ψ is the electronic wavefunction and Ĥ_electronic is the electronic Hamiltonian Example: for ethylene carbonate, E ~ −382.5 Hartree; for dimethoxyethane, E ~ −154.3 Hartree""" ; rdfs:isDefinedBy ; rdfs:label "electronic energy"@en ; "Electronic energy is the sum of the energies of all electrons in a molecule obtained from a quantum chemical calculation. It reflects the overall electronic stability of the molecule."@en ; :canonicalUnit ; :relevance "Serves as a fundamental quantity in computational chemistry. It serves as a foundation for relative energies for stability or calculating the redox potential." . ### https://w3id.org/ofbo#OFBO_0001240 :OFBO_0001240 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "electrophilicity"@en ; "Electrophilicity describes the tendency of a molecule or a specific site within a molecule to accept electrons. It quantifies how susceptible the system is to nucleophilic attack."@en ; :relevance "Electrophilicity determines which molecules or atomic sites are more likely to undergo electron-accepting reactions. This helps predict chemical reactivity, degradation pathways, and interactions of electrolyte components with nucleophiles." . ### https://w3id.org/ofbo#OFBO_0001241 :OFBO_0001241 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001240 ; rdfs:comment """ω = μ² / (2η), where μ = −(IP + EA)/2 Typical range for small organic molecules: ~0.1–5 eV (depends on system) Examples: water (strong electrophile) has high ω; alkanes (weak electrophiles) have low ω""" ; rdfs:isDefinedBy ; rdfs:label "global electrophilicity index"@en ; """The global electrophilicity index (ω) quantifies the ability of a molecule to accept electrons, based on its ionization potential (IP) and electron affinity (EA). It reflects the overall electrophilic character of a molecule, with higher values indicating stronger electron-acceptor behavior."""@en ; :canonicalUnit ; :relevance "Indicates how strongly a molecule will accept electrons, affecting reactivity and stability in redox-active electrolytes." . ### https://w3id.org/ofbo#OFBO_0001242 :OFBO_0001242 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001240 ; rdfs:comment """ω_k = ω × f_k⁺, where ω is the global electrophilicity index and f_k⁺ is the electrophilic Fukui function at atom k Typical range: 0 (low reactivity) to ~1 (high reactivity) per site (normalized for the molecule) Examples: in H2O, oxygen has higher local electrophilicity than hydrogens; in carbonyls, the carbonyl carbon is the most electrophilic site""" ; rdfs:isDefinedBy ; rdfs:label "local electrophilicity"@en ; """Local electrophilicity quantifies the site-specific electron-accepting ability of a molecule. It is derived by weighting the global electrophilicity index (ω) with the electrophilic Fukui function, indicating which atoms are more likely to undergo nucleophilic attack."""@en ; :canonicalUnit ; :relevance "Identifies reactive sites within a molecule, helping predict degradation or reactivity in electrolytes." . ### https://w3id.org/ofbo#OFBO_0001250 :OFBO_0001250 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "frontier orbitals"@en ; "Frontier orbital properties describe the energies and characteristics of the highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO). They reflect the frontier electronic states that govern a molecule's chemical reactivity."@en ; :relevance "Frontier orbitals determine the propensity for electron donation or acceptance in chemical reactions, influence redox behavior, and help predict sites of reactivity in electrolyte molecules." . ### https://w3id.org/ofbo#OFBO_0001251 :OFBO_0001251 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001250 ; rdfs:comment """ε_HOMO = energy of the highest occupied molecular orbital Typical range for small organic electrolyte molecules: −10 to −5 eV Examples: ethylene carbonate ~−9 eV, dimethoxyethane ~−6 eV""" ; rdfs:isDefinedBy ; rdfs:label "HOMO energy"@en ; """HOMO energy is the energy of the highest occupied molecular orbital of a molecule. It represents the energetic level of the most weakly bound electrons and characterizes the molecule's ability to donate electrons. Has been observed to correlate with redox potential."""@en ; ; :canonicalUnit ; :relevance "Indicates electron-donating ability and oxidative stability of electrolyte components, helping predict their susceptibility to oxidation in electrochemical environments." ; :rfbLiterature "https://doi.org/10.1002/anie.202515639" . ### https://w3id.org/ofbo#OFBO_0001252 :OFBO_0001252 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001250 ; rdfs:comment """ΔE_HL = ε_LUMO − ε_HOMO Typical range for small organic electrolyte molecules: 5 to 10 eV Examples: ethylene carbonate ~8 eV, dimethoxyethane ~7 eV""" ; rdfs:isDefinedBy ; rdfs:label "HOMO–LUMO gap"@en ; "The HOMO–LUMO gap is the energy difference between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO) of a molecule. It reflects the electronic stability of a molecule and the energy required to promote an electron from the HOMO to the LUMO."@en ; :canonicalUnit ; :relevance "Provides a measure of chemical stability and reactivity; a larger gap indicates lower reactivity and higher oxidative/reductive stability, while a smaller gap suggests higher reactivity and easier electron transfer. Can also approximate the redox potential." ; :rfbLiterature "https://doi.org/10.1002/anie.202515639" . ### https://w3id.org/ofbo#OFBO_0001253 :OFBO_0001253 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001250 ; rdfs:comment """ε_LUMO = energy of the lowest unoccupied molecular orbital Typical range for small organic electrolyte molecules: −1 to 5 eV Examples: ethylene carbonate ~1 eV, dimethoxyethane ~3 eV""" ; rdfs:isDefinedBy ; rdfs:label "LUMO energy"@en ; "LUMO energy is the energy of the lowest unoccupied molecular orbital of a molecule, representing the lowest-energy orbital available to accept electrons during chemical reactions."@en ; ; :canonicalUnit ; :relevance "Indicates electron-accepting ability and reduction susceptibility of electrolyte components, helping predict which species are more likely to undergo reduction in electrochemical systems." ; :rfbLiterature "https://doi.org/10.1002/anie.202515639" . ### https://w3id.org/ofbo#OFBO_0001260 :OFBO_0001260 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "fukui function"@en ; "Fukui function properties describe the change in electron density at a specific site or overall in a molecule upon addition or removal of electrons. They indicate which atoms or regions are most likely to participate in nucleophilic or electrophilic reactions."@en ; :relevance "Fukui functions help identify reactive sites in molecules, predict chemical reactivity patterns, and assess degradation or reaction pathways in electrolyte systems." ; :rfbLiterature "https://doi.org/10.1038/s41467-025-59962-1" . ### https://w3id.org/ofbo#OFBO_0001261 :OFBO_0001261 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001260 ; rdfs:comment """Δf_k = f_k⁺ − f_k⁻, where f_k⁺ is the electrophilic Fukui function and f_k⁻ is the nucleophilic Fukui function at atom k Typical range: −1 to 1 per site, where negative values indicate electrophilic susceptibility and positive values indicate nucleophilic susceptibility Examples: in H2O, oxygen has a negative dual descriptor (more electrophilic), while hydrogens have positive values (more nucleophilic); in carbonyls, the carbonyl carbon is negative and the oxygen is positive""" ; rdfs:isDefinedBy ; rdfs:label "condensed dual descriptor"@en ; "The condensed dual descriptor combines the electrophilic and nucleophilic Fukui functions to indicate whether a specific atom in a molecule is more prone to electrophilic or nucleophilic attack. Positive values suggest preference for nucleophilic attack, while negative values indicate preference for electrophilic attack."@en ; :canonicalUnit ; :relevance "Directly identifies which atoms in a molecule are more likely to undergo electrophilic or nucleophilic attack. In electrolytes, this helps predict reactive sites for degradation, coordination with cations or anions, and other chemical transformations." . ### https://w3id.org/ofbo#OFBO_0001262 :OFBO_0001262 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001260 ; rdfs:comment """f_k⁺ = ρ_N+1(k) − ρ_N(k), where ρ_N(k) is the electron density at atom k in the neutral molecule and ρ_N+1(k) is the density after adding one electron Typical range: 0 (low susceptibility) to ~1 (high susceptibility) per site Examples: in H2O, oxygen has a higher electrophilic Fukui function than hydrogens; in carbonyls, the carbonyl carbon is the most electrophilic site""" ; rdfs:isDefinedBy ; rdfs:label "electrophilic fukui function"@en ; "The electrophilic Fukui function quantifies the susceptibility of specific atoms in a molecule to undergo nucleophilic attack. It indicates which sites are more likely to accept electrons based on changes in electron density upon adding an electron."@en ; :canonicalUnit ; :relevance "Helps identify reactive sites in molecules, supporting predictions of nucleophilic attack and chemical reactivity in electrolyte systems." . ### https://w3id.org/ofbo#OFBO_0001263 :OFBO_0001263 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001260 ; rdfs:comment """f_k⁻ = ρ_N(k) − ρ_N−1(k), where ρ_N(k) is the electron density at atom k in the neutral molecule and ρ_N−1(k) is the density after removing one electron Typical range: 0 (low susceptibility) to ~1 (high susceptibility) per site Examples: in H2O, hydrogens have higher nucleophilic Fukui function than oxygen; in carbonyls, the oxygen atom is the most nucleophilic site""" ; rdfs:isDefinedBy ; rdfs:label "nucleophilic fukui function"@en ; "The nucleophilic Fukui function quantifies the susceptibility of specific atoms in a molecule to undergo electrophilic attack. It indicates which sites are more likely to donate electrons based on changes in electron density upon removing an electron."@en ; :canonicalUnit ; :relevance "Helps identify reactive sites in molecules, supporting predictions of electrophilic attack and chemical reactivity in electrolyte systems." . ### https://w3id.org/ofbo#OFBO_0001270 :OFBO_0001270 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:isDefinedBy ; rdfs:label "ionization property"@en ; "Ionization properties describe the tendency of a molecule or atom to lose or gain electrons, reflecting its reactivity and stability in redox or electrochemical processes."@en ; :relevance "These properties determine how easily a molecule can be oxidized or reduced, influencing electrochemical stability, redox behavior, and degradation pathways of electrolyte components." . ### https://w3id.org/ofbo#OFBO_0001271 :OFBO_0001271 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001270 ; rdfs:comment """η = (IP − EA)/2, where IP is the ionization potential and EA is the electron affinity Typical range for small organic electrolyte molecules: 2 to 6 eV Examples: ethylene carbonate ~4 eV, dimethoxyethane ~3 eV""" ; rdfs:isDefinedBy ; rdfs:label "chemical hardness"@en ; "Chemical hardness measures the resistance of a molecule to change its electron density, reflecting its stability against deformation of the electron cloud or transfer of electrons."@en ; ; :canonicalUnit ; :relevance "Indicates molecular stability and resistance to electron transfer; harder molecules are less reactive, while softer molecules are more prone to chemical reactions in electrolytes." . ### https://w3id.org/ofbo#OFBO_0001272 :OFBO_0001272 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001270 ; rdfs:comment """EA = E(neutral) − E(anion), where E(neutral) is the energy of the neutral molecule and E(anion) is the energy of the molecule after gaining one electron Typical range for small organic electrolyte molecules: 0 to 3 eV Examples: ethylene carbonate ~1.2 eV, dimethoxyethane ~0.5 eV""" ; rdfs:isDefinedBy ; rdfs:label "electron affinity"@en ; "Electron affinity is the energy change associated with adding an electron to a neutral molecule, representing the molecule's tendency to accept electrons."@en ; :canonicalUnit ; :relevance "Indicates the molecule's ability to accept electrons, helping predict reduction behavior and stability of electrolyte components under electrochemical conditions." . ### https://w3id.org/ofbo#OFBO_0001273 :OFBO_0001273 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001270 ; rdfs:comment """IP = E(cation) − E(neutral), where E(neutral) is the energy of the neutral molecule and E(cation) is the energy after removing one electron Typical range for small organic electrolyte molecules: 7 to 12 eV Examples: ethylene carbonate ~10 eV, dimethoxyethane ~8 eV""" ; rdfs:isDefinedBy ; rdfs:label "ionization potential"@en ; ; "Ionization potential is the energy required to remove an electron from a neutral molecule, representing the molecule's tendency to lose electrons."@en ; :canonicalUnit ; :relevance "Indicates the molecule's susceptibility to oxidation, helping predict oxidative stability of electrolyte components in electrochemical systems." . ### https://w3id.org/ofbo#OFBO_0001300 :OFBO_0001300 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "structural property"@en ; ; "A structural property is a property of a chemical entity that is derived from its three-dimensional geometry or spatial arrangement and requires computation or measurement to obtain. This includes characteristics such as molecular volume, surface area, or molar mass."@en ; :relevance "Structural properties influence how molecules or ions interact with solvents, other ions, and electrodes, affecting solubility, diffusion, and transport properties." . ### https://w3id.org/ofbo#OFBO_0001301 :OFBO_0001301 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001300 ; rdfs:comment """Calculation: Ventity = Σ (4/3 π ri³) − overlap corrections, where ri is the van der Waals radius of atom i; optionally, solvent-accessible volume can be computed using a probe sphere over the surface. Typical range for small organic molecules: ~25–100 ų Examples: methane ~28 ų, ethanol ~48 ų, benzene ~88 ų, quinone derivative ~95 ų""" ; rdfs:isDefinedBy ; rdfs:label "entity volume"@en ; ; "The three-dimensional space occupied by a chemical entity, such as a molecule, ion, or radical, derived from its atomic coordinates. Entity volume depends on the van der Waals radii of atoms and the overall geometry of the species. It is a calculated structural property, not a fixed molecular constant, and can change with conformation or solvation environment."@en ; :canonicalUnit ; :relevance "Measures the effective size of molecules or ions, influencing solubility, ion transport, packing, and stability in organic electrolytes." . ### https://w3id.org/ofbo#OFBO_0001302 :OFBO_0001302 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001300 ; rdfs:isDefinedBy ; rdfs:label "entity mass"@en ; ; "The molar mass of a chemical entity is the mass of one mole of that entity, calculated as the sum of the atomic masses of its constituent atoms, typically expressed in grams per mole (g/mol)."@en ; :canonicalUnit ; :relevance "Affects diffusion rates, solubility, and energy density calculations for redox-active molecules used in organic redox flow batteries." . ### https://w3id.org/ofbo#OFBO_0001303 :OFBO_0001303 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001300 ; rdfs:comment """S = area enclosed by the van der Waals surface of the entity Typical range for small organic molecules: ~50–150 Ų Examples: Methane: S ~50 Ų, Quinone derivative: S ~100 Ų""" ; rdfs:isDefinedBy ; rdfs:label "surface area"@en ; ; "The total area of a chemical entity's surface calculated from its three-dimensional geometry. This is a calculated structural property, not a fixed molecular constant."@en ; :canonicalUnit ; :relevance "Determines solvent interactions and molecular packing; influences diffusion, solubility, and electrochemical accessibility in organic electrolytes." ; :rfbLiterature "https://doi.org/10.1038/s41597-022-01814-4" . ### https://w3id.org/ofbo#OFBO_0001400 :OFBO_0001400 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "kinetic property"@en ; ; "A kinetic property describes the rate at which a chemical or electrochemical process proceeds, as opposed to its thermodynamic favorability."@en . ### https://w3id.org/ofbo#OFBO_0001401 :OFBO_0001401 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001400 ; rdfs:isDefinedBy ; rdfs:label "rate constant"@en ; ; "The rate constant is a kinetic parameter that quantifies the speed of a chemical reaction under given conditions. It appears in the rate law, which relates the reaction rate to the concentrations of reactants."@en ; :relevance """For a general reaction: A + B → Products the rate law can be written as: rate = k [A]^m [B]^n where: k = rate constant m, n = reaction orders with respect to A and B The rate constant depends on temperature, solvent, and the presence of catalysts. It is typically reported in units that depend on the overall order of the reaction (s⁻¹ for first order, M⁻¹ s⁻¹ for second order, etc.). In organic redox flow batteries, the rate constant determines how quickly a redox-active species undergoes a chemical reaction, including electron-transfer reactions, protonation/deprotonation, or decomposition. Faster reaction rates are essential for achieving high current densities and efficient charge/discharge cycles.""" . ### https://w3id.org/ofbo#OFBO_0001402 :OFBO_0001402 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001401 ; rdfs:comment """For a simple one-electron redox reaction at an electrode: Oxidized + e⁻ ⇌ Reduced The heterogeneous rate constant, k₀, is defined at standard conditions and can be measured by cyclic voltammetry or electrochemical impedance spectroscopy. It has units of cm/s. The magnitude of k₀ reflects the speed of electron transfer between the redox species and the electrode surface. Larger k₀ values indicate faster electron transfer and more reversible behavior.""" ; rdfs:isDefinedBy ; rdfs:label "heterogeneous rate constant"@en ; "The heterogeneous rate constant is the rate constant for an electron transfer reaction occurring at an electrode interface. It quantifies the intrinsic electron-transfer kinetics of a redox couple under reversible or quasi-reversible conditions."@en ; :canonicalUnit ; :relevance "In organic redox flow batteries, the heterogeneous rate constant is critical for determining charge/discharge kinetics at the electrodes. High k₀ values ensure efficient electron transfer, minimize overpotentials, and reduce energy losses. Low k₀ can lead to quasi-reversible or irreversible electrochemistry, reducing battery power density and efficiency." ; :rfbLiterature "https://doi.org/10.1002/adfm.202312608" . ### https://w3id.org/ofbo#OFBO_0001500 :OFBO_0001500 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000021 ; rdfs:isDefinedBy ; rdfs:label "transport property"@en ; "A transport property describes the movement of ions, molecules, or charge carriers through a medium, such as an electrolyte solution or membrane."@en . ### https://w3id.org/ofbo#OFBO_0001501 :OFBO_0001501 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001500 ; rdfs:comment """D = lim_{t→∞} ⟨|r(t) − r(0)|²⟩ / (6·t) for three-dimensional diffusion, where r(t) is the particle position at time t Typical range for small organic electrolyte molecules: 0.5 to 3 × 10⁻⁹ m²/s Examples: Li⁺ in ethylene carbonate ~1 × 10⁻⁹ m²/s; dimethoxyethane ~2 × 10⁻⁹ m²/s""" ; rdfs:isDefinedBy ; rdfs:label "diffusion coefficient"@en ; ; "The diffusion coefficient quantifies the rate at which particles (molecules, ions) move through a medium due to random thermal motion. It reflects how quickly species can migrate in a solvent or electrolyte."@en ; :canonicalUnit ; :relevance "Determines ion and solvent mobility, affecting transport properties, conductivity, and overall performance of electrolyte systems." ; :rfbLiterature "https://doi.org/10.1039/D1TA03655F" . ### https://w3id.org/ofbo#OFBO_0001502 :OFBO_0001502 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001500 ; rdfs:comment """σ = Σ_i z_i²·F²·c_i·D_i / (R·T), where z_i is the ion charge, c_i its concentration, D_i its diffusion coefficient, F is Faraday's constant, R is the gas constant, and T is temperature Typical range for liquid organic electrolytes: 1 × 10⁻³ to 1 × 10⁻¹ S/cm Examples: 1 M LiPF6 in ethylene carbonate/dimethyl carbonate mixture ~1 × 10⁻² S/cm; NaCl in dimethoxyethane ~5 × 10⁻³ S/cm""" ; rdfs:isDefinedBy ; rdfs:label "ionic conductivity"@en ; "Ionic conductivity is a measure of an electrolyte's ability to conduct electric current via the movement of ions. It reflects the mobility and concentration of charge carriers in the solution."@en ; :canonicalUnit ; :relevance "Indicates the efficiency of ion transport in electrolytes, directly affecting battery performance, charge/discharge rates, and electrochemical device efficiency." . ### https://w3id.org/ofbo#OFBO_0001503 :OFBO_0001503 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001500 ; rdfs:comment """t⁺ = I_cation / I_total or t⁺ = D_cation / (D_cation + D_anion) for ideal dilute solutions, where D is the diffusion coefficient Typical range for liquid organic electrolytes: 0.2 to 0.6 for cations Examples: Li⁺ in 1 M LiPF6 ethylene carbonate/dimethyl carbonate mixture ~0.35; Na⁺ in dimethoxyethane ~0.4""" ; rdfs:isDefinedBy ; rdfs:label "transference number"@en ; "The transference number (t⁺ or t⁻) is the fraction of the total ionic current carried by a specific ion (cation or anion) in an electrolyte. It reflects the relative mobility of ions under an applied electric field."@en ; :canonicalUnit ; :relevance "Indicates which ion dominates charge transport in an electrolyte, affecting polarization, battery efficiency, and performance in electrochemical systems." . ### https://w3id.org/ofbo#OFBO_0001601 :OFBO_0001601 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000034 ; rdfs:isDefinedBy ; rdfs:label "scan rate specification"@en ; ; "A cyclic voltammetry specification that specifies the rate at which the applied potential is varied during cyclic voltammetry."@en . ### https://w3id.org/ofbo#OFBO_0001602 :OFBO_0001602 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000034 ; rdfs:isDefinedBy ; rdfs:label "cycle count specification"@en ; ; "A cyclic voltammetry specification that specifies the number of potential cycles performed during cyclic voltammetry."@en . ### https://w3id.org/ofbo#OFBO_0001603 :OFBO_0001603 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000034 ; rdfs:isDefinedBy ; rdfs:label "potential window specification"@en ; ; "A cyclic voltammetry specification that specifies the applied potential range used during cyclic voltammetry."@en . ### https://w3id.org/ofbo#OFBO_0002001 :OFBO_0002001 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """BDE = E_radical1 + E_radical2 − E_molecule, where E_molecule is the energy of the intact molecule and E_radical1/2 are the energies of the resulting radicals Typical range for small organic molecules: 300 to 500 kJ/mol Examples: C–H bond in dimethoxyethane ~410 kJ/mol; C=O bond in ethylene carbonate ~390 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "bond dissociation energy"@en ; ; "Bond dissociation energy (BDE) is the energy required to homolytically break a specific chemical bond in a molecule, forming two radicals. It reflects the strength of the bond and the molecule's resistance to bond cleavage."@en ; :canonicalUnit ; :relevance "Indicates the strength of chemical bonds and susceptibility to homolytic cleavage, helping predict degradation pathways, radical formation, and chemical stability in electrolytes." . ### https://w3id.org/ofbo#OFBO_0002002 :OFBO_0002002 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """H = U + pV, where U is the internal energy, p is the pressure, and V is the volume. Only relative energies have significant meaning. Typical range for small organic molecules: varies widely depending on size and composition; relative changes (ΔH) for reactions are typically −200 to +200 kJ/mol Examples: ΔH of ethylene carbonate ring-opening ~−50 kJ/mol; ΔH of dimethoxyethane oxidation ~+30 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "enthalpy"@en ; "Enthalpy (H) is the total heat content of a system at constant pressure, representing the sum of its internal energy and the energy associated with pressure–volume work. In molecular systems, it is often used to evaluate reaction energetics and thermodynamic stability."@en ; ; :canonicalUnit ; :relevance "Helps evaluate thermodynamic favorability of reactions, stability of molecules, and heat changes during degradation or interaction processes in electrolyte systems." . ### https://w3id.org/ofbo#OFBO_0002003 :OFBO_0002003 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0002002 ; rdfs:comment """ΔH_f = H_compound − Σ H_elements, where H_compound is the enthalpy of the compound and H_elements are the enthalpies of the constituent elements in their standard states Typical range for small organic molecules: −500 to 0 kJ/mol Examples: ethylene carbonate ΔH_f ~−350 kJ/mol; dimethoxyethane ΔH_f ~−250 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "heat of formation"@en ; ; "Heat of formation (ΔH_f) is the change in enthalpy when one mole of a compound is formed from its constituent elements in their standard states. It reflects the thermodynamic stability of the compound relative to its elements."@en ; :canonicalUnit ; :relevance "Indicates the inherent thermodynamic stability of molecules, helping predict reactivity, decomposition tendencies, and suitability of compounds as electrolyte components." . ### https://w3id.org/ofbo#OFBO_0002004 :OFBO_0002004 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """S = k_B ln Ω, where k_B is the Boltzmann constant and Ω is the number of accessible microstates Typical range for small organic molecules: 100 to 400 J/mol·K Examples: ethylene carbonate ~200 J/mol·K; dimethoxyethane ~250 J/mol·K""" ; rdfs:isDefinedBy ; rdfs:label "entropy"@en ; "Entropy (S) is a measure of the disorder or randomness in a system. In molecular systems, it reflects the number of accessible microstates and the flexibility or freedom of motion of the molecules."@en ; ; :canonicalUnit ; :relevance "Helps evaluate thermodynamic contributions to reactions and stability, including the balance between enthalpic and entropic effects in degradation, solvation, and other processes in electrolytes." . ### https://w3id.org/ofbo#OFBO_0002005 :OFBO_0002005 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """G = H − T·S, where H is enthalpy, T is temperature, and S is entropy. Only relative energies have significant meaning. Typical range for small organic molecules: −200 to +200 kJ/mol for reaction free energies Examples: ΔG of ethylene carbonate ring-opening ~−20 kJ/mol; ΔG of dimethoxyethane oxidation ~+10 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "gibbs free energy"@en ; "Gibbs free energy (G) is a thermodynamic quantity that combines enthalpy and entropy to determine the spontaneity of a process at constant temperature and pressure. It reflects the maximum reversible work a system can perform."@en ; ; :canonicalUnit ; :relevance "Indicates thermodynamic favorability of reactions and processes, helping predict stability, degradation, and reaction pathways of electrolyte components." . ### https://w3id.org/ofbo#OFBO_0002006 :OFBO_0002006 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0002005 ; rdfs:comment """G_a = G_TS − G_reactant, where E_TS is the energy of the transition state and E_reactant is the energy of the initial molecule Typical range for small organic electrolyte molecules: 50 to 200 kJ/mol, depending on the reaction pathway Examples: ethylene carbonate decomposition via ring-opening ~120 kJ/mol; dimethoxyethane oxidative degradation ~90 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "gibbs free energy of activation"@en ; "The gibbs free energy of activation is the minimum free energy required for a molecule to undergo a chemical transformation via a given reaction pathway. It represents the kinetic stability of the molecule under given conditions."@en ; :canonicalUnit ; :relevance "Indicates the kinetic stability of reactant components, helping predict degradation rates, shelf-life, and performance under electrochemical conditions." . ### https://w3id.org/ofbo#OFBO_0002007 :OFBO_0002007 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0002005 ; rdfs:comment """ΔG_rxn = G_products − G_reactant, where G_reactant is the Gibbs free energy of the intact molecule and G_products is that of the products Typical range for small organic electrolyte molecules: −100 to +50 kJ/mol, depending on the reaction Examples: ethylene carbonate ring-opening degradation ~−20 kJ/mol; dimethoxyethane oxidative degradation ~−10 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "gibbs free energy of reaction"@en ; "The gibbs free energy of reaction is the change in Gibbs free energy associated with the chemical reaction of a molecule. It reflects the thermodynamic favorability of the reaction process."@en ; :canonicalUnit ; :relevance "Provides insight into whether chemical reactions are thermodynamically favorable." . ### https://w3id.org/ofbo#OFBO_0002008 :OFBO_0002008 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """S = log₁₀(c_max), where c_max is the maximum molar concentration of the solute in the solvent Typical range for small organic molecules in common solvents: −2 to 2 (log₁₀ mol/L) Examples: LiPF6 in ethylene carbonate ~0.5; NaCl in dimethoxyethane ~−1""" ; rdfs:isDefinedBy ; rdfs:label "solubility"@en ; "Solubility is the maximum concentration of a solute that can dissolve in a solvent at a given temperature and pressure. It reflects the thermodynamic favorability of solute–solvent interactions."@en ; :canonicalUnit ; :relevance "Determines how much electrolyte or salt can dissolve in a solvent, influencing ionic strength, conductivity, and overall electrolyte performance." ; :rfbLiterature "https://doi.org/10.1021/acs.chemrev.5c00332" . ### https://w3id.org/ofbo#OFBO_0002009 :OFBO_0002009 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000022 ; rdfs:comment """ZPE = (1/2) Σ h·ν_i, where the sum is over all vibrational modes ν_i of the molecule Typical range for small organic molecules: 50 to 500 kJ/mol, depending on molecular size and bonding Examples: ethylene carbonate ~200 kJ/mol; dimethoxyethane ~150 kJ/mol""" ; rdfs:isDefinedBy ; rdfs:label "zero point energy"@en ; "Zero-point energy (ZPE) is the lowest possible vibrational energy that a molecule possesses, even at absolute zero temperature. It reflects the quantum mechanical motion of atoms in their equilibrium positions."@en ; :canonicalUnit ; :relevance "Contributes to the total electronic and thermodynamic energy of molecules, affecting reaction energies, stability, and accurate modeling of degradation or solvation processes in electrolytes." . ### https://w3id.org/ofbo#OFBO_0003000 :OFBO_0003000 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000024 ; rdfs:isDefinedBy ; rdfs:label "spectroscopic property"@en ; "Spectroscopic properties describe how a molecule interacts with electromagnetic radiation or magnetic fields, revealing information about its electronic structure, vibrational modes, and magnetic environment."@en ; :relevance "These properties enable experimental and computational characterization of molecular structure, bonding, and electronic states. In electrolytes, they help validate molecular models, monitor degradation, and understand interactions at the atomic and molecular level." . ### https://w3id.org/ofbo#OFBO_0003010 :OFBO_0003010 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003000 ; rdfs:isDefinedBy ; rdfs:label "absorption spectrum"@en ; "An absorption spectrum describes how a molecule or ion absorbs electromagnetic radiation as a function of wavelength or energy. Absorption spectra capture transitions between quantized energy states, providing information about electronic structure, excited states, or vibrational modes."@en ; :relevance "These spectra reveal electronic and vibrational properties, predict light absorption behavior of electrolytes, and help validate computational models. They are used to assess photochemical stability, UV–Vis and IR/Raman activity, and the response of electrolyte molecules to electromagnetic fields." . ### https://w3id.org/ofbo#OFBO_0003011 :OFBO_0003011 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003010 ; rdfs:comment """Absorbance A(λ) or A(E) is plotted versus wavelength λ or energy E, where peaks correspond to allowed electronic transitions. Typical range for small organic molecules: 150–400 nm (UV) and 400–700 nm (visible), depending on the chromophores present Examples: ethylene carbonate absorbs mainly in the UV around 180–200 nm; conjugated molecules like stilbene show visible absorption ~300–350 nm""" ; rdfs:isDefinedBy ; rdfs:label "UV–Vis spectrum"@en ; "The UV–Vis spectrum represents the absorption of ultraviolet and visible light by a molecule as a function of wavelength or energy. It reflects electronic transitions from occupied to unoccupied molecular orbitals, primarily π→π* and n→π* transitions in organic molecules."@en ; :canonicalUnit ; :relevance "Provides information on electronic structure and conjugation, helping predict optical properties, photostability, and potential photo-induced reactions of molecules in electrolytes and other systems." . ### https://w3id.org/ofbo#OFBO_0003012 :OFBO_0003012 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003010 ; rdfs:isDefinedBy ; rdfs:label "vibrational spectrum"@en ; "A vibrational spectrum describes the quantized vibrational motions of atoms within a molecule, which interact with electromagnetic radiation. It provides information about bond strengths, molecular geometry, and functional groups."@en ; :relevance "These properties are critical for identifying molecular structure, detecting functional groups, and monitoring interactions such as hydrogen bonding. In electrolytes, vibrational spectra can reveal solvation effects, molecular dynamics, and degradation pathways." . ### https://w3id.org/ofbo#OFBO_0003013 :OFBO_0003013 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003012 ; rdfs:comment """Absorbance or transmittance is plotted versus wavenumber (cm⁻¹). Typical vibrational frequencies for organic molecules range from 400 to 4000 cm⁻¹. Examples: C=O stretching in ethylene carbonate ~1800 cm⁻¹; C–H stretching in dimethoxyethane ~2900 cm⁻¹""" ; rdfs:isDefinedBy ; rdfs:label "IR spectrum"@en ; "The IR spectrum represents the absorption of infrared light by a molecule as a function of frequency or wavenumber. It reflects vibrational transitions within the molecule, providing information about bond strengths, functional groups, and molecular structure."@en ; :canonicalUnit ; :relevance "Helps experimentally identify functional groups, bonding patterns, and molecular interactions, supporting structural characterization and analysis of electrolytes and organic molecules." . ### https://w3id.org/ofbo#OFBO_0003014 :OFBO_0003014 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003012 ; rdfs:comment """Raman intensity is plotted versus wavenumber shift (cm⁻¹). Typical vibrational frequencies for small organic molecules range from 100 to 3500 cm⁻¹. Examples: C=O stretching in ethylene carbonate ~1800 cm⁻¹; C–H stretching in dimethoxyethane ~2950 cm⁻¹""" ; rdfs:isDefinedBy ; rdfs:label "raman spectrum"@en ; "The Raman spectrum represents inelastic scattering of light by a molecule, where incident photons exchange energy with molecular vibrations. It provides complementary vibrational information to IR spectroscopy, particularly for vibrations involving changes in polarizability."@en ; :canonicalUnit ; :relevance "Provides information on vibrational modes, molecular structure, and interactions. In electrolytes, Raman spectra help probe solvation structures, ion–solvent interactions, and conformational changes." . ### https://w3id.org/ofbo#OFBO_0003020 :OFBO_0003020 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003000 ; rdfs:isDefinedBy ; rdfs:label "magnetic resonance spectrum"@en ; "Magnetic resonance properties describe how nuclei or unpaired electrons interact with external magnetic fields. They provide information about local electronic environments, spin distributions, and magnetic interactions in molecules."@en ; :relevance "These properties are essential for characterizing molecular structure, bonding, and electron distribution in electrolyte components. They help predict NMR and EPR spectra, monitor molecular dynamics, and validate computational models of chemical environments." . ### https://w3id.org/ofbo#OFBO_0003021 :OFBO_0003021 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003020 ; rdfs:isDefinedBy ; rdfs:label "EPR spectrum"@en ; "The EPR spectrum describes the interaction of unpaired electron spins with an external magnetic field, providing information about electronic structure, spin distribution, and local magnetic environments in paramagnetic species."@en ; :relevance "EPR properties help characterize radicals, transition-metal complexes, and other paramagnetic molecules. They are critical for understanding electron localization, magnetic interactions, and reactivity in electrolyte systems containing unpaired electrons." . ### https://w3id.org/ofbo#OFBO_0003022 :OFBO_0003022 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003021 ; rdfs:comment """The hyperfine tensor is a 3×3 matrix: A = [A_xx, A_xy, A_xz; A_yx, A_yy, A_yz; A_zx, A_zy, A_zz], with principal components A_x, A_y, A_z obtained by diagonalization. Typical values for organic radicals: A ~0–10 mT depending on the nucleus. Examples: methyl radical ^1H A ~2 mT; oxygen-centered radical in carbonate solvents ^17O A ~5 mT""" ; rdfs:isDefinedBy ; rdfs:label "hyperfine tensor"@en ; "The hyperfine tensor describes the interaction between an unpaired electron's magnetic moment and nearby nuclear spins in electron paramagnetic resonance (EPR) spectroscopy. It reflects the distribution of spin density over the molecule and the coupling with specific nuclei."@en ; :canonicalUnit ; :relevance "Provides detailed information on spin distribution and electron–nucleus interactions, helping identify radical localization, bonding environment, and reactivity in electrolyte and redox-active systems." . ### https://w3id.org/ofbo#OFBO_0003023 :OFBO_0003023 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003021 ; rdfs:comment """The g tensor is a 3×3 matrix: g = [g_xx, g_xy, g_xz; g_yx, g_yy, g_yz; g_zx, g_zy, g_zz], with principal components g_x, g_y, g_z obtained by diagonalization. Typical values for organic radicals: g ~2.002–2.005 Examples: methyl radical g ~2.003, oxygen-centered radical in carbonate solvents g ~2.004""" ; rdfs:isDefinedBy ; rdfs:label "g tensor"@en ; "The g tensor describes the interaction between the electronic spin and an external magnetic field in electron paramagnetic resonance (EPR) spectroscopy. It reflects deviations from the free-electron g value due to the molecular electronic environment and spin–orbit coupling."@en ; :canonicalUnit ; :relevance "Provides insight into the electronic environment of unpaired electrons, spin delocalization, and molecular structure in radicals or paramagnetic species relevant to electrolytes and redox-active molecules." . ### https://w3id.org/ofbo#OFBO_0003024 :OFBO_0003024 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003020 ; rdfs:isDefinedBy ; rdfs:label "NMR spectrum"@en ; "The NMR spectrum describes how atomic nuclei interact with external magnetic fields, providing information about the local electronic environment and molecular structure."@en ; :relevance "These properties are essential for determining chemical structure, bonding, and electron distribution in electrolyte molecules. NMR data can validate computational models, probe molecular dynamics, and assess solvent or ion effects on nuclei." . ### https://w3id.org/ofbo#OFBO_0003025 :OFBO_0003025 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003024 ; rdfs:comment """δ = (ν_sample − ν_ref) / ν_ref × 10^6, where ν_sample is the resonance frequency of the nucleus and ν_ref is that of the reference compound Typical range for ^1H NMR in organic molecules: 0–12 ppm; for ^13C NMR: 0–220 ppm Examples: ^1H in water ~4.8 ppm, ^1H in ethylene carbonate ~4.3 ppm; ^13C in carbonyl carbon of ethylene carbonate ~155 ppm""" ; rdfs:isDefinedBy ; rdfs:label "chemical shift"@en ; "Chemical shift is the resonant frequency of a nucleus relative to a reference in nuclear magnetic resonance (NMR) spectroscopy. It reflects the local electronic environment around the nucleus and how it shields or deshields the applied magnetic field."@en ; ; :canonicalUnit ; :relevance "Provides information on the electronic environment and bonding of nuclei, helping elucidate molecular structure, functional groups, and interactions in electrolytes and other chemical systems." . ### https://w3id.org/ofbo#OFBO_0003026 :OFBO_0003026 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0003024 ; rdfs:comment "σ = [σ_xx, σ_xy, σ_xz; σ_yx, σ_yy, σ_yz; σ_zx, σ_zy, σ_zz], where the tensor components describe the shielding along different spatial directions. Average of the trace elements results in isotropic shielding. The absolute value correlates with the number of electrons." ; rdfs:isDefinedBy ; rdfs:label "shielding tensor"@en ; "The shielding tensor describes the local magnetic shielding experienced by a nucleus due to the surrounding electron density in a molecule. It is used to compute and interpret NMR chemical shifts."@en ; :canonicalUnit ; :relevance "Provides a detailed description of the local magnetic environment, allowing prediction and interpretation of NMR chemical shifts, anisotropy, and electronic structure in molecules, including electrolytes." . ### https://w3id.org/ofbo#OFBO_0003030 :OFBO_0003030 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:comment """ΔE_exc = E_excited − E_ground, where E_ground is the energy of the electronic ground state and E_excited is the energy of the excited state Typical range for small organic molecules: 2 to 8 eV Examples: ethylene carbonate first singlet excitation ~6 eV, dimethoxyethane first singlet excitation ~5 eV""" ; rdfs:isDefinedBy ; rdfs:label "excitation energy"@en ; "Excitation energy is the energy required to promote a molecule from its electronic ground state to an excited electronic state. It reflects the energy difference between the occupied and unoccupied molecular orbitals involved in the transition, and is commonly derived from UV–Vis absorption data or excited-state calculations."@en ; :canonicalUnit ; :relevance "Determines the wavelengths of light a molecule can absorb, influencing optical properties, photostability, and potential photo-induced reactions in electrolytes or other molecular systems." . ### https://w3id.org/ofbo#OFBO_0003031 :OFBO_0003031 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0001200 ; rdfs:comment """ν_i = (1/2π) √(k_i/μ_i), where k_i is the force constant of mode i and μ_i is the reduced mass of the vibrating atoms Typical range for small organic molecules: 400 to 4000 cm⁻¹ Examples: C=O stretching in ethylene carbonate ~1800 cm⁻¹; C–H stretching in dimethoxyethane ~2900 cm⁻¹""" ; rdfs:isDefinedBy ; rdfs:label "vibrational frequencies"@en ; "Vibrational frequencies are the characteristic frequencies at which atoms in a molecule oscillate around their equilibrium positions. They correspond to quantized vibrational energy levels and are the underlying quantities reported in IR and Raman spectra."@en ; :canonicalUnit ; :relevance "Helps characterize molecular bonds, identify functional groups, and predict IR and Raman active modes, supporting structural analysis and understanding of molecular interactions in electrolyte systems." . ### https://w3id.org/ofbo#OFBO_0004001 :OFBO_0004001 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000023 ; rdfs:comment """ρ = m / V, where m is the mass and V is the volume of the sample Typical range for small organic electrolyte solvents: 0.8 to 1.5 g/cm³ Examples: ethylene carbonate ~1.32 g/cm³; dimethoxyethane ~0.87 g/cm³""" ; rdfs:isDefinedBy ; rdfs:label "density"@en ; "Density is the mass of a substance per unit volume. In molecular systems and liquids, it reflects how closely molecules are packed and is influenced by molecular size, interactions, and temperature."@en ; ; :canonicalUnit ; :relevance "Provides insight into packing efficiency, solvent-solute interactions, and overall bulk properties of electrolytes, influencing viscosity, transport, and electrochemical performance." . ### https://w3id.org/ofbo#OFBO_0004002 :OFBO_0004002 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000023 ; rdfs:comment """η = τ / γ̇, where τ is the shear stress and γ̇ is the shear rate Typical range for small organic electrolyte solvents: 0.3 to 5 mPa·s Examples: ethylene carbonate ~2.5 mPa·s; dimethoxyethane ~0.45 mPa·s""" ; rdfs:isDefinedBy ; rdfs:label "viscosity"@en ; "Viscosity is a measure of a fluid's resistance to flow. In electrolyte solutions, it reflects the internal friction between molecules and ions, influencing ion mobility and transport properties."@en ; ; :canonicalUnit ; :relevance "Determines the ease of ion transport in electrolytes, affecting diffusion, conductivity, and overall performance of electrochemical devices." . ### https://w3id.org/ofbo#OFBO_0007000 :OFBO_0007000 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000031 ; rdfs:isDefinedBy ; rdfs:label "interaction"@en ; ; "An interaction is a process in which two or more chemical entities influence each other through physical or chemical forces, without necessarily forming or breaking covalent bonds."@en . ### https://w3id.org/ofbo#OFBO_0007001 :OFBO_0007001 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007000 ; rdfs:isDefinedBy ; rdfs:label "hydrogen bonding"@en ; ; "A directional, non-covalent interaction between a hydrogen atom covalently bound to an electronegative donor atom (such as O or N) and an electronegative acceptor atom with a lone pair of electrons."@en ; :relevance "Hydrogen bonding stabilizes molecular structures, influences solubility, affects redox stability of organic electrolytes, and can modulate the mobility of ions within the electrolyte." . ### https://w3id.org/ofbo#OFBO_0007002 :OFBO_0007002 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007000 ; rdfs:isDefinedBy ; rdfs:label "ion ion interaction"@en ; ; "Electrostatic interactions between cations and anions in solution, which may result in ion pairs or clusters."@en ; :relevance "Ion–ion interactions influence ionic conductivity, viscosity, aggregation of salts, and electrochemical potential shifts in organic electrolytes. Strong ion pairing can reduce free ion availability for charge transport." . ### https://w3id.org/ofbo#OFBO_0007003 :OFBO_0007003 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007000 ; rdfs:isDefinedBy ; rdfs:label "ion solvent interaction"@en ; "Non-covalent interactions between ions and surrounding solvent molecules, typically involving coordination, dipole interactions, or hydrogen bonding."@en ; :relevance "Ion–solvent interactions stabilize dissolved ions, modulate redox potentials, affect ion mobility, and are critical for achieving desired solubility and electrochemical performance." . ### https://w3id.org/ofbo#OFBO_0007004 :OFBO_0007004 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007000 ; rdfs:isDefinedBy ; rdfs:label "solvation"@en ; "The process by which solvent molecules surround and interact with a solute, forming a solvation shell through non-covalent interactions."@en ; ; :relevance "Solvation governs ion stabilization, redox potential shifts, solubility, and transport properties in electrolytes. Effective solvation enhances electrolyte performance and prevents precipitation or aggregation of active species." . ### https://w3id.org/ofbo#OFBO_0007005 :OFBO_0007005 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007004 ; rdfs:isDefinedBy ; rdfs:label "hydration"@en ; "The specific solvation of a solute by water molecules, forming a structured hydration shell around ions or polar molecules."@en ; :relevance "Hydration is particularly important in aqueous or partially aqueous electrolytes, affecting ion mobility, redox behavior, and chemical stability. Hydration can also influence degradation pathways for water-sensitive organic molecules." . ### https://w3id.org/ofbo#OFBO_0007006 :OFBO_0007006 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007004 ; rdfs:isDefinedBy ; rdfs:label "implicit solvation"@en ; "A computational representation of solvent effects in which the solvent is modeled as a continuous dielectric medium rather than as discrete molecules. The solute is placed in a cavity within the dielectric environment, and the solvent influence on the solute's electronic structure and energetics is described through polarization of the surrounding continuum."@en ; :relevance "Implicit solvation models are widely used to estimate solvent effects on redox potentials, reaction energetics, and molecular stability in organic redox flow battery electrolytes. They allow efficient screening of redox-active molecules by approximating solvent stabilization of charged or polar species without the computational cost of explicitly simulating large numbers of solvent molecules." . ### https://w3id.org/ofbo#OFBO_0007100 :OFBO_0007100 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000031 ; rdfs:isDefinedBy ; rdfs:label "reaction"@en ; "A process in which one or more chemical species (reactants) are transformed into one or more different species (products) through the breaking and forming of chemical bonds."@en ; . ### https://w3id.org/ofbo#OFBO_0007110 :OFBO_0007110 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "charge transfer"@en ; "A chemical or electrochemical process involving the partial or complete transfer of electronic charge between donor and acceptor species without necessarily forming or breaking covalent bonds."@en ; :relevance "Charge transfer underlies redox activity, parasitic reactions, and intermolecular interactions between electrolyte components, electrodes, and additives, directly influencing conductivity, redox kinetics, and stability." . ### https://w3id.org/ofbo#OFBO_0007120 :OFBO_0007120 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "electrochemical reaction"@en ; "A reaction involving the transfer of electrons between chemical species and an electrode, driven by an applied electrochemical potential. In the context of redox flow batteries, electrochemical oxidation and reduction are treated as the forward and reverse directions of a single reversible redox couple."@en ; ; :relevance "Electrochemical reactions define the intended, reversible redox processes of organic electrolytes at the electrode interface, as well as unintended side reactions occurring there." . ### https://w3id.org/ofbo#OFBO_0007121 :OFBO_0007121 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007120 ; owl:disjointWith :OFBO_0007122 , :OFBO_0007130 ; rdfs:isDefinedBy ; rdfs:label "electrochemical oxidation"@en ; "The anodic half-reaction of a reversible electrochemical redox couple, in which a chemical entity loses one or more electrons at an electrode, resulting in an increase in its oxidation state."@en ; :relevance "Electrochemical oxidation determines the upper voltage limit and oxidative stability of organic electrolytes during charge/discharge cycling, and is the counterpart of electrochemical reduction in a reversible redox couple." . ### https://w3id.org/ofbo#OFBO_0007122 :OFBO_0007122 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007120 ; owl:disjointWith :OFBO_0007131 ; rdfs:isDefinedBy ; rdfs:label "electrochemical reduction"@en ; "The cathodic half-reaction of a reversible electrochemical redox couple, in which a chemical entity gains one or more electrons at an electrode, resulting in a decrease in its oxidation state."@en ; :relevance "Electrochemical reduction determines the lower voltage limit and reductive stability of organic electrolytes during charge/discharge cycling, and is the counterpart of electrochemical oxidation in a reversible redox couple." . ### https://w3id.org/ofbo#OFBO_0007130 :OFBO_0007130 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "chemical oxidation"@en ; "A chemical reaction in which a chemical entity loses one or more electrons to another chemical species (rather than to an electrode), resulting in an increase in its oxidation state."@en ; ; :relevance "Chemical, non-electrochemical oxidation of redox-active molecules or their intermediates (e.g., by dissolved oxygen or other oxidants) is a parasitic reaction that can irreversibly consume active material in redox flow battery electrolytes." . ### https://w3id.org/ofbo#OFBO_0007131 :OFBO_0007131 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "chemical reduction"@en ; "A chemical reaction in which a chemical entity gains one or more electrons from another chemical species (rather than from an electrode), resulting in a decrease in its oxidation state."@en ; ; :relevance "Chemical, non-electrochemical reduction of redox-active molecules or their intermediates is a parasitic reaction that can irreversibly consume active material in redox flow battery electrolytes." . ### https://w3id.org/ofbo#OFBO_0007200 :OFBO_0007200 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007100 ; rdfs:isDefinedBy ; rdfs:label "degradation reaction"@en ; "A chemical or electrochemical reaction mechanism that, in the context of redox-active electrolyte molecules, alters molecular structure or composition in a way that leads to loss of intended function, redox activity, or stability. Degradation reactions often involve bond cleavage, rearrangement, dimerization, hydrolysis, or other transformations that reduce the reversibility or performance of the species under operational conditions."@en ; :relevance "Degradation reactions are critical for understanding the chemical and electrochemical stability of organic electrolytes. They determine the lifetime, efficiency, and safety of battery or capacitor systems." . ### https://w3id.org/ofbo#OFBO_0007201 :OFBO_0007201 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "anthrone formation"@en ; "A chemical reaction in which anthraquinone or related quinone structures are reduced and subsequently rearrange to form anthrone derivatives, typically involving protonation and keto–enol type transformations."@en ; :relevance "Anthrone formation represents an irreversible degradation pathway for quinone-based redox-active electrolytes, leading to loss of redox reversibility, decreased capacity, and reduced cycling stability." . ### https://w3id.org/ofbo#OFBO_0007202 :OFBO_0007202 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "bromination"@en ; "A chemical reaction in which a bromine atom is introduced into a molecule, typically replacing a hydrogen atom or adding across a double bond, often as an undesired side reaction in brominated redox flow battery systems."@en ; ; :relevance "Bromination can represent an unwanted degradation or side reaction in organic electrolytes exposed to bromine-based active species or oxidants, altering molecular structure and electrochemical behavior." . ### https://w3id.org/ofbo#OFBO_0007204 :OFBO_0007204 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "disproportionation"@en ; "A redox reaction in which a single chemical species is simultaneously oxidized and reduced, forming two products with different oxidation states."@en ; :relevance "Disproportionation can limit the stability of intermediate redox states in organic electrolytes, reducing coulombic efficiency and impairing long-term electrochemical reversibility." . ### https://w3id.org/ofbo#OFBO_0007205 :OFBO_0007205 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "gem diol formation"@en ; "A chemical reaction in which a carbonyl group reacts with water to form a geminal diol, containing two hydroxyl groups bonded to the same carbon atom."@en ; :relevance "Gem-diol formation is relevant for carbonyl-containing electrolytes in the presence of trace water, potentially altering redox potentials, solubility, and chemical stability." ; :rfbLiterature "https://doi.org/10.1039/C9TA03219C" . ### https://w3id.org/ofbo#OFBO_0007206 :OFBO_0007206 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "hydrolysis"@en ; ; "A chemical reaction in which a molecule reacts with water, resulting in the cleavage of a covalent bond and formation of two or more products. Hydrolysis often involves nucleophilic attack by water on electrophilic centers such as esters, amides, carbonyls, or sulfonates."@en ; :relevance "Hydrolysis is a common degradation pathway for water-sensitive organic electrolyte molecules. It can reduce solubility or redox activity of active species or generate by-products that impair conductivity or stability." . ### https://w3id.org/ofbo#OFBO_0007207 :OFBO_0007207 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "michael addition"@en ; "A nucleophilic addition reaction in which a nucleophile adds to an α,β-unsaturated carbonyl or related electron-deficient system."@en ; ; :relevance "Michael addition represents a chemical degradation pathway for conjugated organic electrolytes, especially in the presence of nucleophilic impurities or additives." ; :rfbLiterature "https://doi.org/10.1039/C9TA03219C" . ### https://w3id.org/ofbo#OFBO_0007208 :OFBO_0007208 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "protodesulfonation"@en ; "A chemical reaction in which a sulfonyl or sulfonate substituent is removed from an aromatic or aliphatic system through proton-mediated cleavage."@en ; :relevance "Protodesulfonation can lead to loss of solubilizing or ionic groups, decreasing electrolyte solubility and causing irreversible performance degradation." . ### https://w3id.org/ofbo#OFBO_0007209 :OFBO_0007209 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0007200 ; rdfs:isDefinedBy ; rdfs:label "tautomerization"@en ; "A reversible intramolecular rearrangement involving the migration of a proton and a shift in bonding, resulting in interconvertible structural isomers known as tautomers."@en ; :relevance "Tautomerization can influence redox potentials, proton-coupled electron transfer behavior, and chemical stability of organic electrolyte molecules." . ### https://w3id.org/ofbo#OFBO_0008000 :OFBO_0008000 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000032 ; rdfs:isDefinedBy ; rdfs:label "computational process"@en ; """A computational process is a formal algorithm or protocol used to model and predict molecular or material properties using theoretical and numerical techniques. Computational processes can range from empirical force fields to quantum chemical calculations, and are used to simulate electronic structure, thermodynamics, kinetics, or molecular dynamics. For ab initio quantum chemical methods, standardized terminology from the MDO calculation module is used to describe the method type, level of theory, and basis sets."""@en . ### https://w3id.org/ofbo#OFBO_0008001 :OFBO_0008001 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0008000 ; rdfs:isDefinedBy ; rdfs:label "ab initio process"@en ; ; "An ab initio process is a computational process based on quantum chemical methods derived directly from the principles of quantum mechanics, without the use of empirical parameters fitted to experimental data."@en . ### https://w3id.org/ofbo#OFBO_0008002 :OFBO_0008002 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0008000 ; rdfs:isDefinedBy ; rdfs:label "machine learning process"@en ; ; "A machine learning process is a computational process that uses statistical models and algorithms to learn patterns from data and make predictions or decisions without being explicitly programmed. In chemistry and materials science, machine learning processes can model molecular properties, potential energy surfaces, and reaction outcomes, often providing efficient approximations of quantum chemical or experimental results."@en . ### https://w3id.org/ofbo#OFBO_0008500 :OFBO_0008500 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000032 ; rdfs:isDefinedBy ; rdfs:label "experimental process"@en ; "An experimental process is a planned process carried out in a laboratory setting, using physical instrumentation and materials, to observe, measure, or characterize the properties or behavior of chemical entities."@en ; . ### https://w3id.org/ofbo#OFBO_0009001 :OFBO_0009001 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000041 ; rdfs:isDefinedBy ; rdfs:label "electrolyte"@en ; ; "A chemical role realized by a chemical entity when it is dissolved or dispersed within a solution and contributes to its ionic conductivity by dissociating into or otherwise supporting mobile ions."@en ; :relevance "The electrolyte role is central to redox flow battery systems, as it underlies ionic conductivity, charge balance, and the overall ability of a solution to transport charge between electrodes." . ### https://w3id.org/ofbo#OFBO_0009002 :OFBO_0009002 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0009001 ; rdfs:isDefinedBy ; rdfs:label "supporting electrolyte"@en ; "A chemical role realized by a chemical entity, typically an inert salt, when it provides ionic conductivity to a solution without participating directly in the redox reaction of interest."@en ; :relevance "The supporting electrolyte role is important for maintaining solution conductivity and ionic strength, reducing cell resistance and migration effects, independently of the redox-active species' concentration." . ### https://w3id.org/ofbo#OFBO_0009010 :OFBO_0009010 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000041 ; rdfs:isDefinedBy ; rdfs:label "solvent"@en ; "A chemical role realized by a chemical entity when it dissolves, suspends, or disperses other chemical entities, providing the liquid medium in which solvation, ion transport, and chemical reactions occur."@en ; ; :relevance "The solvent role is central to electrolyte formulation, as the solvent determines solubility, viscosity, ionic conductivity, and the electrochemical window within which redox-active species and supporting electrolytes can operate." . ### https://w3id.org/ofbo#OFBO_0009011 :OFBO_0009011 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0009010 ; owl:disjointWith :OFBO_0009012 ; rdfs:isDefinedBy ; rdfs:label "aprotic solvent"@en ; "A solvent role realized by a chemical entity that lacks an acidic hydrogen capable of hydrogen bonding as a donor, and therefore does not readily donate protons."@en ; ; :relevance "Aprotic solvents are widely used in organic redox flow battery electrolytes because they do not participate in proton-transfer side reactions, allowing wider electrochemical windows and greater compatibility with reactive or protic-sensitive redox-active species." . ### https://w3id.org/ofbo#OFBO_0009012 :OFBO_0009012 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0009010 ; rdfs:isDefinedBy ; rdfs:label "protic solvent"@en ; "A solvent role realized by a chemical entity that contains a hydrogen atom bonded to an electronegative atom, allowing it to donate protons and participate in hydrogen bonding."@en ; ; :relevance "Protic solvents, such as water, are used in aqueous organic redox flow battery electrolytes and influence proton-coupled electron transfer, pH-dependent redox potentials, and hydrogen bonding interactions with dissolved species." . ### https://w3id.org/ofbo#OFBO_0009020 :OFBO_0009020 rdf:type owl:Class ; rdfs:subClassOf :OFBO_0000041 ; rdfs:isDefinedBy ; rdfs:label "active material"@en ; "A chemical role realized by a chemical entity when it undergoes reversible oxidation or reduction within an electrochemical system, serving as the charge-storing species."@en ; :relevance "The active material role identifies the molecules responsible for charge storage and energy conversion in organic redox flow batteries, making it the central role for evaluating candidate electrolyte materials." . ### https://w3id.org/pmd/co/PMD_0020255 rdf:type owl:Class ; rdfs:subClassOf ; "PERSON: Philipp von Hartrott" ; rdfs:label "characterization property"@en ; "a property that is commonly associated with the domain of characterization and testing"@en . ### https://w3id.org/pmd/co/PMD_0020259 rdf:type owl:Class ; rdfs:subClassOf ; rdfs:label "chemical property"@en ; "a property that is commonly associated with the domain of chemistry"@en . ### https://w3id.org/pmd/co/PMD_0020265 rdf:type owl:Class ; rdfs:subClassOf ; "Do not use this class directly. Use 'qualtiy' or 'realizable entity'"@en ; rdfs:label "property"@en ; "property is a collection class for entities that are either qualites (represent a state) or realizable entities (represent a behavior)"@en . ### https://w3id.org/pmd/co/PMD_0020313 rdf:type owl:Class ; rdfs:subClassOf ; rdfs:label "thermodynamic property"@en ; "a property that is commonly associated with the domain of thermodynamics"@en . ### https://w3id.org/pmd/co/PMD_0020316 rdf:type owl:Class ; rdfs:subClassOf ; rdfs:label "fluid mechanics property"@en ; "a property that is commonly associated with the domain of fluid mechanics"@en . ################################################################# # Individuals ################################################################# ### https://orcid.org/0000-0001-5399-043X rdf:type owl:NamedIndividual , ; rdfs:label "Jan Hamaekers" ; ; "Jan Hamaekers" . ### https://orcid.org/0000-0001-9923-9676 rdf:type owl:NamedIndividual , ; rdfs:label "Daniel Willimetz" ; ; "Daniel Willimetz" . ### https://orcid.org/0000-0002-0885-5762 rdf:type owl:NamedIndividual , ; rdfs:label "Jens Noack" ; ; "Jens Noack" . ### https://orcid.org/0000-0003-2260-8271 rdf:type owl:NamedIndividual , ; rdfs:label "Abhishek Khetan" ; ; "Abhishek Khetan" . ### https://orcid.org/0009-0007-4215-324X rdf:type owl:NamedIndividual , ; rdfs:label "Manaswitha Todupunuri" ; ; "Manaswitha Todupunuri" . ### https://orcid.org/0009-0008-7608-2192 rdf:type owl:NamedIndividual , ; rdfs:label "Astrid Maaß" ; ; "Astrid Maaß" . ### https://www.rfb-predictor.eu/ rdf:type owl:NamedIndividual , ; "PREDICTOR is funded by the European Union under Grant Agreement No. 101168943."@en ; "101168943" ; "PREDICTOR"@en ; ; rdfs:label "PREDICTOR" . ### https://www.scai.fraunhofer.de/ rdf:type owl:NamedIndividual , , ; "Fraunhofer Institute for Algorithms and Scientific Computing SCAI"@en ; ; rdfs:label "Fraunhofer Institute for Algorithms and Scientific Computing SCAI"@en . ### Generated by the OWL API (version 5.1.18) https://github.com/owlcs/owlapi/