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chemistry.owl
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<?xml version="1.0" encoding="utf-8" ?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:skos="http://www.w3.org/2004/02/skos/core#"
xmlns:ns0="http://emmo.info/emmo/middle/chemistry#">
<owl:Ontology rdf:about="http://emmo.info/emmo/middle/chemistry">
<owl:versionIRI rdf:resource="http://emmo.info/emmo/1.0.0-beta/middle/chemistry"/>
<owl:imports rdf:resource="http://emmo.info/emmo/1.0.0-beta/middle"/>
</owl:Ontology>
<rdf:Description rdf:about="http://emmo.info/emmo/middle/isq#EMMO_04b3300c_98bd_42dc_a3b5_e6c29d69f1ac">
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<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_0eabfde6_c6c5_4b1f_bf10_e4e0e06e9b2e">
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<skos:prefLabel xml:lang="en">TotalComposition</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_16a3bd5c_75f0_42b3_b000_cb0d018f840e">
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<skos:prefLabel xml:lang="en">ChemicalName</skos:prefLabel>
</owl:Class>
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<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_91a0635a_a89a_46de_8928_04a777d145c7"/>
<skos:prefLabel xml:lang="en">IUPACName</skos:prefLabel>
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<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e"/>
<ns0:elucidation>Specific form of an element defined as to isotopic composition, electronic or oxidation state, and/or complex or molecular structure.
Chemical species is the macroscopic equivalent of molecular entity and refers to sets or ensembles of molecular entities.</ns0:elucidation>
<ns0:iupacDoi>https://doi.org/10.1351/goldbook.CT06859</ns0:iupacDoi>
<rdfs:comment>Following nominalistic approach a species is simply a name that can point to an element name, a chemical formula or a chemical compound.
So everything addressed by these classes of names can be calleded a chemical species.</rdfs:comment>
<rdfs:comment>N2
Methane
CH4
Fe
Sodium Chloride</rdfs:comment>
<skos:prefLabel xml:lang="en">ChemicalSpecies</skos:prefLabel>
</owl:Class>
</owl:someValuesFrom>
</owl:Restriction>
</rdfs:subClassOf>
<skos:prefLabel xml:lang="en">SingleComponentComposition</skos:prefLabel>
</owl:Class>
<rdf:Description rdf:about="http://emmo.info/emmo/middle/materials#EMMO_21205421_5783_4d3e_81e5_10c5d894a88a">
<ns0:example>Hydrogen molecule is an adequate definition of a certain molecular entity for some purposes, whereas for others it is necessary to distinguish the electronic state and/or vibrational state and/or nuclear spin, etc. of the hydrogen molecule.</ns0:example>
<ns0:example>Methane, may mean a single molecule of CH4 (molecular entity) or a molar amount, specified or not (chemical species), participating in a reaction. The degree of precision necessary to describe a molecular entity depends on the context.</ns0:example>
<rdfs:comment>Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities.
Note that the name of a compound may refer to the respective molecular entity or to the chemical species,</rdfs:comment>
</rdf:Description>
<rdf:Description rdf:about="http://emmo.info/emmo/middle/materials#EMMO_3397f270_dfc1_4500_8f6f_4d0d85ac5f71">
<owl:disjointUnionOf>
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<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_50967f46_51f9_462a_b1e4_e63365b4a184">
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<skos:prefLabel xml:lang="en">Heteronuclear</skos:prefLabel>
</owl:Class>
</rdf:first>
<rdf:rest>
<rdf:Description>
<rdf:first>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_e024544d_e374_45b7_9340_1982040bc6b7">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/materials#EMMO_3397f270_dfc1_4500_8f6f_4d0d85ac5f71"/>
<skos:altLabel>ElementalMolecule</skos:altLabel>
<skos:prefLabel xml:lang="en">Homonuclear</skos:prefLabel>
</owl:Class>
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<rdf:rest rdf:resource="http://www.w3.org/1999/02/22-rdf-syntax-ns#nil"/>
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<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_4208f937_8bad_47cf_af46_4ada75e63adb">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8"/>
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<owl:Restriction>
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<owl:someValuesFrom rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf"/>
</owl:Restriction>
</rdfs:subClassOf>
<ns0:elucidation>An expression that provides information about the element types that constiture a molecule or a molecular substance and their number.</ns0:elucidation>
<ns0:example>Hydrogen peroxide is H2O2</ns0:example>
<skos:prefLabel xml:lang="en">MolecularFormula</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_436b11bd_1756_4821_9f14_c9ed6b67552e">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea"/>
<ns0:elucidation>A chemical substance composed of atoms with the same number of protons in the atomic nucleus.</ns0:elucidation>
<ns0:iupacDoi>https://doi.org/10.1351/goldbook.C01022</ns0:iupacDoi>
<skos:altLabel xml:lang="en">PureSubstance</skos:altLabel>
<skos:prefLabel>ElementalSubstance</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_47338839_6cca_4a8e_b565_3c4d5517e2c0">
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<owl:disjointUnionOf>
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<rdf:Description>
<rdf:first rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea"/>
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<rdfs:comment>A chemical entity comprises the two different ways to represents matter: as single recognizable particle entity (molecular entity) and as a composition of particle entities (substance).
This distinction is not well assessed in actual chemical nomenclature, in which an element name refers to both the pure elemental substance or the atom.
In the EMMO we force the adoption of a more strict categorization based on mereotopology.
The class Material hosts the subclasses for which a substance can be identified without necessarily considering its nature of molecule/atom or substance (e.g. hydrocarbon is the class of both hydrocarbon molecules or gases).</rdfs:comment>
<skos:prefLabel xml:lang="en">ChemicalEntity</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_4e659c69_ca2d_4569_8a96_f99857a1fa32">
<skos:prefLabel xml:lang="en">InorganicCompound</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/perceptual#EMMO_a1083d0a_c1fb_471f_8e20_a98f881ad527"/>
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://emmo.info/emmo/middle/perceptual#EMMO_23b579e1_8088_45b5_9975_064014026c42"/>
<owl:someValuesFrom rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:Restriction>
</rdfs:subClassOf>
<ns0:elucidation>The symbol for a specific chemical element, that can stand both for an atom or a substance.</ns0:elucidation>
<ns0:iupacDoi>https://doi.org/10.1351/goldbook.C01022</ns0:iupacDoi>
<rdfs:comment>The IUPAC Gold Book defines the a chemical element both as:
- a species of atoms; all atoms with the same number of protons in the atomic nucleus
- a pure chemical substance composed of atoms with the same number of protons in the atomic nucleus
This qualifies a chemical element as a name and not a matter obejct that can stand for an atom or a substance.</rdfs:comment>
<rdfs:seeAlso>http://publications.iupac.org/ci/2005/2701/ud.html</rdfs:seeAlso>
<skos:prefLabel xml:lang="en">ChemicalElement</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_643d99dd_fae6_4121_a76f_47f486a4480b">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e"/>
<ns0:elucidation>A language object following a specific nomenclature rules for defining univocal names of chemical compounds.</ns0:elucidation>
<rdfs:comment>A chemical numenclature should not be confused with the chemical formula.</rdfs:comment>
<skos:prefLabel xml:lang="en">ChemicalNomenclature</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_6756e9c2_8b89_40b2_bee7_52cd1dad3395">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="http://emmo.info/emmo/middle/perceptual#EMMO_23b579e1_8088_45b5_9975_064014026c42"/>
<owl:hasValue>H</owl:hasValue>
</owl:Restriction>
</rdfs:subClassOf>
<skos:prefLabel xml:lang="en">HydrogenSymbol</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_6afdb7e8_2a0b_444d_bde3_8d67d98180c0">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8"/>
<ns0:elucidation>An expression that provide information about the element type of a compound and their relative ratio.</ns0:elucidation>
<ns0:example>Hydrogen peroxide is HO</ns0:example>
<skos:prefLabel xml:lang="en">EmpiricalFormula</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_704630b8_fee3_49b9_baca_40e2dd276370">
<skos:prefLabel xml:lang="en">OrganicCompound</skos:prefLabel>
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<skos:prefLabel xml:lang="en">PartialComposition</skos:prefLabel>
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<ns0:elucidation>A language construct that provides information about the consitutents of a substance and their fractions or amounts.</ns0:elucidation>
<skos:prefLabel xml:lang="en">ChemicalComposition</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_844d1ded_2ede_43fd_a3c0_d33f332b2da6">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf"/>
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<owl:onProperty rdf:resource="http://emmo.info/emmo/middle/perceptual#EMMO_23b579e1_8088_45b5_9975_064014026c42"/>
<owl:hasValue>U</owl:hasValue>
</owl:Restriction>
</rdfs:subClassOf>
<skos:prefLabel xml:lang="en">UraniumSymbol</skos:prefLabel>
</owl:Class>
<owl:Class rdf:about="http://emmo.info/emmo/middle/chemistry#EMMO_86f34276_7ab7_4609_94ea_16a15c0bc9fb">
<rdfs:subClassOf rdf:resource="http://emmo.info/emmo/middle/chemistry#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf"/>
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<owl:onProperty rdf:resource="http://emmo.info/emmo/middle/perceptual#EMMO_23b579e1_8088_45b5_9975_064014026c42"/>
<owl:hasValue>Ar</owl:hasValue>
</owl:Restriction>
</rdfs:subClassOf>
<skos:prefLabel xml:lang="en">ArgonSymbol</skos:prefLabel>
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