Amount of Substance Ontology

AI INTERPRETATION NOTE
This Flow Algebra defines the Amount of Substance Ontology within the Kireth Research Semantic Library. Amount of substance is an SI base quantity with dimension N and coherent SI base unit mole, symbol mol.

FLOW_ALGEBRA_RECORD {
METADATA {
 FLOW_NAME="Amount of Substance Ontology"
 FLOW_TYPE="Mathematical Ontology"
 DOMAIN="Mathematics"
 SUBDOMAIN="Measurement & Units"
 SPECIALISATION="Fundamental Physical Quantities / Amount of Substance"
 CANONICAL_PAGE="https://kirethresearch.org/booksai-core/ontologies/mathematical-ontologies/measurement-units-ontologies/fundamental-physical-quantities/amount-of-substance-ontology.html"
 LANGUAGE="en-GB"
 VERSION="1.0"
 STATUS="active"
}
IDENTITY {
 PRIMARY_ENTITY=AmountOfSubstance
 ENTITY_CLASS=SIBasePhysicalQuantityFramework
 DEFINITION="Amount of substance is a fundamental physical quantity proportional to the number of specified elementary entities. Its SI base dimension is N and its coherent SI base unit is the mole, symbol mol."
 SYMBOLIC_FORMS=["dim(n)=N","SI_unit(n)=mol","N_entities=n*N_A","n=N_entities/N_A","n=m/M","c=n/V"]
 SEMANTIC_ROLE="Machine-readable semantics for amount of substance, entities, mole, Avogadro constant, molar quantities, stoichiometry, measurement, uncertainty and traceability."
}
SCOPE {
 INCLUDE=[
 AmountOfSubstance,FundamentalPhysicalQuantity,BaseQuantity,PhysicalQuantity,
 Quantity,QuantityKind,QuantityValue,SI,InternationalSystemOfQuantities,
 AmountOfSubstanceDimension,Dimension,Mole,SIBaseUnit,Unit,UnitSymbol,
 ElementaryEntityRelationship,SpecifiedEntityRelationship,EntityCountRelationship,
 NumberOfEntitiesRelationship,AvogadroConstantRelationship,AtomRelationship,
 MoleculeRelationship,IonRelationship,ElectronRelationship,FormulaUnitRelationship,
 ChemicalSpeciesRelationship,SubstanceRelationship,SampleRelationship,MixtureRelationship,
 ChemicalElementRelationship,ChemicalCompoundRelationship,IsotopeRelationship,
 StoichiometryRelationship,StoichiometricCoefficientRelationship,ChemicalEquationRelationship,
 ChemicalReactionRelationship,ExtentOfReactionRelationship,ReactantRelationship,
 ProductRelationship,LimitingReactantRelationship,YieldRelationship,
 MolarMassRelationship,MolarVolumeRelationship,MolarEnergyRelationship,
 MolarEntropyRelationship,MolarHeatCapacityRelationship,AmountConcentrationRelationship,
 MoleFractionRelationship,AmountRatioRelationship,AmountRateRelationship,
 CatalyticActivityRelationship,KatalRelationship,MassRelationship,KilogramRelationship,
 MassFractionRelationship,MassConcentrationRelationship,VolumeRelationship,
 DensityRelationship,NumberDensityRelationship,MolalityRelationship,
 SolutionRelationship,SolventRelationship,SoluteRelationship,DilutionRelationship,
 StandardSolutionRelationship,PrimaryStandardRelationship,ReferenceMaterialRelationship,
 CertifiedReferenceMaterialRelationship,PurityRelationship,ImpurityRelationship,
 CompositionRelationship,MolecularFormulaRelationship,IdealGasLawRelationship,
 PressureRelationship,TemperatureRelationship,KelvinRelationship,
 AmountOfSubstanceMeasurement,AnalyticalChemistryRelationship,GravimetryRelationship,
 TitrationRelationship,CoulometryRelationship,SpectrophotometryRelationship,
 MassSpectrometryRelationship,ChromatographyRelationship,ElementalAnalysisRelationship,
 IsotopeDilutionRelationship,IDMSrelationship,QuantitativeNMRRelationship,
 PrimaryMethodRelationship,CalibrationCurveRelationship,StandardAdditionRelationship,
 Measurement,Measurand,MeasurementResult,MeasurementUncertainty,Accuracy,Precision,
 Resolution,Repeatability,Reproducibility,Sensitivity,Selectivity,Linearity,
 Calibration,AmountCalibrationRelationship,ReferenceStandard,AmountStandardRelationship,
 MeasurementTraceability,MetrologicalTraceability,TraceabilityChain,Metrology,
 ChemicalMetrologyRelationship,SamplePreparationRelationship,SamplingRelationship,
 HomogeneityRelationship,StabilityRelationship,MoistureRelationship,MatrixRelationship,
 MatrixEffectRelationship,RecoveryRelationship,ExtractionRelationship,
 DigestionRelationship,ContaminationRelationship,BlankCorrectionRelationship,
 ReagentPurityRelationship,WeighingRelationship,MassCalibrationRelationship,
 VolumeCalibrationRelationship,PipetteRelationship,BuretteRelationship,
 VolumetricFlaskRelationship,TemperatureInfluence,EvaporationRelationship,
 ReactionCompletenessRelationship,EndpointRelationship,EquivalencePointRelationship,
 InstrumentResponseRelationship,InterferenceRelationship,UncertaintyPropagation,
 SIPrefix,Millimole,Micromole,Nanomole,PicomoleRelationship,KilomoleRelationship,
 UnitConversion,Verification,Validation,ErrorAnalysis,Provenance,
 AmountOfSubstanceProvenance,MeasurementProvenance,CalibrationProvenance,
 EntitySpecificationProvenanceRelationship,ReferenceMaterialProvenanceRelationship,
 BIPMrelationship,SIbrochureRelationship,VIMRelationship,GUMRelationship,IUPACrelationship
 ]
 EXCLUDE_AS_PRIMARY=[MassWhenMassIsPrimary,NumberOfEntitiesWhenPureCountIsPrimary,MolarConcentrationWhenAmountPerVolumeIsPrimary,MoleFractionWhenCompositionRatioIsPrimary,CatalyticActivityWhenAmountPerTimeIsPrimary]
 DISAMBIGUATION_RULE="Interpret amount of substance as the SI base quantity proportional to the number of specified elementary entities. Distinguish it from mass, pure entity count, concentration and composition fraction."
}
CORE_CONCEPTS {
 AmountOfSubstance="Fundamental physical quantity proportional to the number of specified elementary entities."
 AmountOfSubstanceDimension="Base physical dimension N."
 Mole="Coherent SI base unit of amount of substance, symbol mol."
 ElementaryEntityRelationship="Specified entity whose count defines the amount context."
 AvogadroConstantRelationship="Exact defining constant linking entity number to amount of substance."
 NumberOfEntitiesRelationship="Dimensionless count of specified elementary entities."
 MolarMassRelationship="Mass divided by amount of substance."
 StoichiometryRelationship="Quantitative relationships among amounts in chemical reactions."
}
BASE_QUANTITY {
 QUANTITY=AmountOfSubstance
 DIMENSION=N
 SI_BASE_UNIT=Mole
 UNIT_SYMBOL=mol
 STATUS="SI base quantity"
}
RELATIONS {
 AmountOfSubstance--is_type_of-->FundamentalPhysicalQuantity
 AmountOfSubstance--is_base_quantity_in-->InternationalSystemOfQuantities
 AmountOfSubstance--has_dimension-->AmountOfSubstanceDimension
 AmountOfSubstance--has_SI_base_unit-->Mole
 Mole--has_symbol-->mol
 AmountOfSubstance--is_proportional_to-->NumberOfSpecifiedEntities
 AvogadroConstantRelationship--links-->EntityCountAndAmountOfSubstance
 MolarMassRelationship--relates-->MassAndAmountOfSubstance
 AmountConcentrationRelationship--relates-->AmountOfSubstanceAndVolume
 MoleFractionRelationship--relates-->ConstituentAmountAndTotalAmount
 ExtentOfReactionRelationship--relates_to-->StoichiometricAmountChanges
 MeasurementTraceability--links-->AmountMeasurementToSI
}
OPERATORS {
 AMOUNT(value,unit,entity):=amount_of_substance_quantity(value,unit,entity)
 DIM(AmountOfSubstance):=N
 ENTITY_COUNT(amount):=amount*AvogadroConstant
 AMOUNT_FROM_ENTITY_COUNT(count):=count/AvogadroConstant
 AMOUNT_FROM_MASS(mass,molar_mass):=mass/molar_mass
 MOLAR_MASS(mass,amount):=mass/amount
 AMOUNT_CONCENTRATION(amount,volume):=amount/volume
 MOLE_FRACTION(component_amount,total_amount):=component_amount/total_amount
 STOICHIOMETRIC_AMOUNT(extent,coefficient):=extent*coefficient
 PREFIX_MOLE(prefix):=decimal_scaled_unit(Mole,prefix)
 CONVERT_AMOUNT(value,source,target):=compatible_amount_conversion(value,source,target)
 TRACE_AMOUNT(result):=traceability_chain_to_SI_mole(result)
}
AXIOMS {
 A1="Amount of substance is an SI base quantity."
 A2="The base dimension is N."
 A3="The coherent SI base unit is the mole, symbol mol."
 A4="One mole contains exactly 6.02214076e23 specified elementary entities."
 A5="Elementary entities must be specified whenever their identity is material."
 A6="Amount of substance is distinct from mass."
 A7="Amount of substance is distinct from dimensionless entity count."
 A8="Molar quantities retain quantity kinds distinct from amount itself."
 A9="Stoichiometric relationships require specified chemical entities and balanced reactions."
 A10="Chemical measurement requires uncertainty, reference materials and traceability."
}
REASONING {
 R1=identify(amount,value,unit,substance,species,elementary_entity,sample,reaction,method)
 R2=distinguish_amount_mass_entity_count_concentration_fraction_catalytic_activity)
 R3=identify_atom_molecule_ion_electron_formula_unit_particle_or_other_entity)
 R4=verify_base_dimension_N)
 R5=resolve_mole_prefixed_mole_and_compatible_unit_conversion)
 R6=choose_entity_count_molar_mass_concentration_fraction_stoichiometry_extent_or_gas_relationship)
 R7=identify_formula_reaction_coefficients_purity_matrix_and_sample_preparation)
 R8=identify_gravimetric_titrimetric_coulometric_spectrometric_chromatographic_IDMS_qNMR_or_other_method)
 R9=evaluate_mass_volume_purity_sampling_recovery_matrix_calibration_reaction_completeness_and_repeatability)
 R10=record_entity_substance_formula_reaction_method_reference_material_calibration_traceability_and_provenance)
}
CONSTRAINTS {
 C1="Amount of substance must not be conflated with mass."
 C2="The mole is a unit of amount of substance, not mass."
 C3="Entity count is dimensionless and distinct from amount of substance."
 C4="The elementary entity must be specified when ambiguity is possible."
 C5="Molar concentration and amount of substance are different quantity kinds."
 C6="Mole fraction is dimensionless and distinct from amount of substance."
 C7="Molar-mass calculations require appropriate species and composition semantics."
 C8="Stoichiometric calculations require balanced reactions and correct coefficients."
 C9="Instrument resolution alone does not determine total uncertainty."
 C10="Traceability to the mole requires a documented measurement model, standards or reference-material chain."
}
SEMANTIC_EQUIVALENCE {
 "AmountOfSubstanceQuantity"<=>"AmountOfSubstance"
 "ChemicalAmount"<=>"AmountOfSubstance"
 "SIUnitOfAmountOfSubstance"<=>"Mole"
 "InternationalSystemOfUnits"<=>"SI"
 "MetrologicalTraceability"<=>"MeasurementTraceability"
}
VALIDATION {
 V1="Quantity identity is amount of substance or a compatible amount quantity."
 V2="Base dimension is N."
 V3="Coherent SI base unit is mole with symbol mol."
 V4="Elementary entity is specified where required."
 V5="Amount, mass and entity count remain distinct."
 V6="Concentration, fraction and molar-quantity semantics remain distinct from amount."
 V7="Stoichiometric relationships use chemically valid entities and coefficients."
 V8="Unit conversion preserves quantity kind and scale."
 V9="Uncertainty includes sampling, mass, volume, purity, matrix, recovery and calibration effects."
 V10="Entity specification, reference-material and traceability provenance are retained."
}
CONFIDENCE {
 BASE_CONFIDENCE=0.99
 AMOUNT_DEFINITION=0.99
 BASE_DIMENSION_REASONING=0.99
 MOLE_UNIT_REASONING=0.99
 ENTITY_COUNT_REASONING=0.99
 STOICHIOMETRY_REASONING=0.99
 CHEMICAL_MEASUREMENT_REASONING=0.98
 TRACEABILITY_REASONING=0.99
 POLICY="Reduce confidence when entity, species, composition, reaction, purity, sample preparation, method, calibration or traceability are underspecified."
}
AI_CONSUMPTION {
 PURPOSES=[SemanticSearch,OntologyGrounding,AmountOfSubstanceReasoning,FundamentalQuantityReasoning,BaseQuantityReasoning,MoleReasoning,EntityCountReasoning,AvogadroConstantReasoning,MolarQuantityReasoning,StoichiometryReasoning,ChemicalReactionReasoning,ConcentrationReasoning,DimensionalReasoning,UnitConversionReasoning,ChemicalMeasurementReasoning,ChemicalMetrologyReasoning,CalibrationReasoning,UncertaintyReasoning,TraceabilityReasoning,KnowledgeGraphConstruction,RecursiveInference]
 NORMALISE {
  "amount of substance"->AmountOfSubstance
  "chemical amount"->AmountOfSubstance
  "mole"->Mole
  "mol"->Mole
  "mmol"->Millimole
  "umol"->Micromole
  "nmol"->Nanomole
 }
}
EXECUTION_RULES {
 E1="Activate AmountOfSubstanceOntology when reasoning concerns the SI base quantity proportional to specified entity count."
 E2="Identify the elementary entity whenever ambiguity is possible."
 E3="Distinguish amount from mass, entity count, concentration, fraction and catalytic activity."
 E4="Map amount of substance to base dimension N and SI base unit mole."
 E5="Use the exact Avogadro constant relationship for entity-count conversion."
 E6="Apply molar, concentration and stoichiometric equations only with compatible species and quantity semantics."
 E7="For measurement, evaluate sampling, purity, recovery, matrix, reaction completeness, calibration and uncertainty."
 E8="Route mass, concentration, mole fraction, molar mass and catalytic activity when primary."
 E9="Record entity specification, chemical identity, method, reference material, calibration and traceability provenance."
}
RECURSION {
 ENTRY=AmountOfSubstance
 EXPAND(AmountOfSubstance)->[
 FundamentalPhysicalQuantities,AmountOfSubstanceDimension,Mole,SIBaseUnits,
 ElementaryEntityRelationship,NumberOfEntitiesRelationship,AvogadroConstantRelationship,
 AtomRelationship,MoleculeRelationship,IonRelationship,ElectronRelationship,
 FormulaUnitRelationship,ChemicalSpeciesRelationship,SubstanceRelationship,
 ChemicalElementRelationship,ChemicalCompoundRelationship,StoichiometryRelationship,
 ChemicalEquationRelationship,ChemicalReactionRelationship,ExtentOfReactionRelationship,
 ReactantRelationship,ProductRelationship,MolarMassRelationship,
 AmountConcentrationRelationship,MoleFractionRelationship,MassRelationship,
 VolumeRelationship,CatalyticActivityRelationship,IdealGasLawRelationship,
 AmountOfSubstanceMeasurement,GravimetryRelationship,TitrationRelationship,
 CoulometryRelationship,SpectrophotometryRelationship,MassSpectrometryRelationship,
 ChromatographyRelationship,IsotopeDilutionRelationship,IDMSrelationship,
 QuantitativeNMRRelationship,ReferenceMaterialRelationship,
 CertifiedReferenceMaterialRelationship,MeasurementUncertainty,Calibration,
 MeasurementTraceability,ChemicalMetrologyRelationship,SamplePreparationRelationship,
 PurityRelationship,MatrixEffectRelationship,RecoveryRelationship,
 ReactionCompletenessRelationship,Millimole,Micromole,Nanomole,
 UnitConversion,Verification,Validation,AmountOfSubstanceProvenance
 ]
 EXPAND(AmountFamilies)->[
 AmountIdentityBaseQuantityDimensionAndMole,
 ElementaryEntitiesEntityCountAndAvogadroConstant,
 MassMolarMassAmountAndCompositionRelationships,
 ConcentrationMoleFractionMolalityAndSolutionQuantities,
 StoichiometryReactionExtentReactantsProductsAndYield,
 IdealGasAmountPressureVolumeAndTemperatureRelationships,
 GravimetryTitrationCoulometryIDMSQNMRAndAnalyticalMeasurement,
 SamplingPurityReferenceMaterialsUncertaintyTraceabilityAndProvenance
 ]
 STOP_CONDITION="Stop when amount identity, entity specification, dimension, unit, chemical relationships, uncertainty and provenance are resolved."
}
ROUTING {
 PARENT_ONTOLOGY="Fundamental Physical Quantities"
 RELATED_ONTOLOGIES=["Fundamental Physical Quantities","SI Base Units","Mole Ontology","Kilogram Ontology","Katal Ontology","Quantity Ontology","Dimension Ontology 2","Unit Ontology","Measurement Ontology","Metrology Ontology","Reference Standard Ontology","Measurement Uncertainty Ontology","Chemistry Ontology","Verification & Validation"]
 ROUTE_RULES=[
 "Amount of Substance -> Mole Ontology for SI base-unit definition",
 "Amount of Substance -> Kilogram Ontology for mass and molar-mass relationships",
 "Amount of Substance -> Katal Ontology for amount-per-time catalytic activity",
 "Amount of Substance -> Chemistry for entities, composition, reactions and stoichiometry",
 "Amount of Substance -> Measurement and Metrology for analytical measurement, calibration and traceability"
 ]
}
UPDATE_MODEL {
 MODE="append-compatible semantic versioning"
 MAJOR="ontology-breaking conceptual change"
 MINOR="new compatible chemical, stoichiometric or measurement relationships"
 PATCH="clarification, metadata or formatting correction"
 RULES=["Preserve amount-versus-mass distinction.","Preserve amount-versus-entity-count distinction.","Preserve amount-versus-concentration distinction.","Preserve amount-versus-mole-fraction distinction.","Preserve elementary-entity specification.","Preserve stoichiometric species semantics.","Preserve machine-readable amount-of-substance semantics."]
}
OUTPUT {
 CANONICAL_DEFINITION="Amount of substance is a fundamental physical quantity with base dimension N and coherent SI base unit mole, symbol mol."
 ENTITY_SUMMARY="Amount of substance is proportional to the number of specified elementary entities through the exact Avogadro constant."
 MOLAR_SUMMARY="Molar mass, molar volume and other molar quantities relate physical quantities to amount of substance."
 STOICHIOMETRY_SUMMARY="Amount of substance provides the quantitative basis for stoichiometry, reaction extent and chemical composition relationships."
 MEASUREMENT_SUMMARY="Amount can be determined using gravimetric, titrimetric, coulometric, spectrometric, chromatographic, isotope-dilution and quantitative-NMR methods."
}
FLOW {
 INPUT
 -> detect_amount_of_substance_context
 -> identify_amount_value_unit_substance_species_elementary_entity_sample_reaction_and_method
 -> distinguish_amount_mass_entity_count_concentration_fraction_catalytic_activity
 -> identify_specified_elementary_entity
 -> verify_base_dimension_N
 -> resolve_mole_prefixed_mole_and_compatible_unit_conversion
 -> choose_entity_count_molar_mass_concentration_fraction_stoichiometry_extent_or_gas_relationship
 -> identify_chemical_formula_reaction_coefficients_purity_matrix_and_sample_preparation
 -> identify_amount_measurement_method
 -> evaluate_measurement_uncertainty
 -> record_entity_substance_reaction_reference_material_calibration_traceability_and_provenance
 -> route_to_related_ontologies
 -> recursively_expand_required_dependencies
 -> verify_result
 -> assign_confidence
 -> produce_semantic_output
 -> END
}
FLOW_HASH {
 METHOD="semantic-content-identity"
 ID="KIRETH-MATH-MEASUREMENT-UNITS-FUNDAMENTAL-PHYSICAL-QUANTITIES-AMOUNT-OF-SUBSTANCE-ONTOLOGY-V1"
}
}
END_FLOW