From 5ae1dc94800b0392af896d018e341b50695e3335 Mon Sep 17 00:00:00 2001 From: Simon Clark Date: Wed, 14 Aug 2024 14:45:35 +0200 Subject: [PATCH] update data types and examples --- .gitignore | 2 + catalog-v001.xml | 6 +- ...nt_current_constant_voltage_cycling.jsonld | 78 ++++++++- .../jsonld/fair_compliance_template.jsonld | 3 +- docs/examples/example_zinc_foil.ipynb | 137 +++++++++++++++ docs/scripts/file | 1 + electrochemicalquantities.ttl | 4 +- electrochemistry-inferred.ttl | 162 +++++++++++++++--- electrochemistry.ttl | 96 +++++++++-- requirements.txt | 2 + 10 files changed, 442 insertions(+), 49 deletions(-) create mode 100644 .gitignore create mode 100644 docs/examples/example_zinc_foil.ipynb create mode 100644 docs/scripts/file diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..ce97e77 --- /dev/null +++ b/.gitignore @@ -0,0 +1,2 @@ +# Ignore the virtual environment directory +.venv/ \ No newline at end of file diff --git a/catalog-v001.xml b/catalog-v001.xml index 29ab204..d994e76 100644 --- a/catalog-v001.xml +++ b/catalog-v001.xml @@ -2,10 +2,10 @@ - + - - + + diff --git a/docs/assets/jsonld/electrochemical_method_constant_current_constant_voltage_cycling.jsonld b/docs/assets/jsonld/electrochemical_method_constant_current_constant_voltage_cycling.jsonld index 7b5b047..27be163 100644 --- a/docs/assets/jsonld/electrochemical_method_constant_current_constant_voltage_cycling.jsonld +++ b/docs/assets/jsonld/electrochemical_method_constant_current_constant_voltage_cycling.jsonld @@ -28,6 +28,19 @@ } ] }, + "hasInput": [ + { + "@type": "ElectrochemicalDevice" + }, + { + "@type": "NumberOfIterations", + "hasNumericalPart": { + "@type": "Real", + "hasNumericalValue": 10 + }, + "hasMeasurementUnit": "emmo:UnitOne" + } + ], "hasOutput": [ { "@type": "TimeSeriesDataSet", @@ -39,14 +52,63 @@ "@type": "VoltageData" }, { - "@type": "CurrentData" + "@type": "ElectricCurrentData" + } + ] + } + ], + "hasTemporaryParticipant": { + "@type": "ElectrochemicalWorkstation" + }, + "hasSubProcess": [ + { + "@type": ["VoltageMeasurement", "TimeSeriesMeasurement"], + "hasMeasurementParameter": [ + { + "@type": "SamplingRate" + }, + { + "@type": "Precision" + } + ] + }, + { + "@type": ["ElectricCurrentMeasurement", "TimeSeriesMeasurement"], + "hasMeasurementParameter": [ + { + "@type": "SamplingRate" + }, + { + "@type": "Precision" + } + ] + }, + { + "@type": ["TimeMeasurement", "TimeSeriesMeasurement"], + "hasMeasurementParameter": [ + { + "@type": "SamplingRate" + }, + { + "@type": "Precision" + } + ] + }, + { + "@type": ["TemperatureMeasurement", "TimeSeriesMeasurement"], + "hasMeasurementParameter": [ + { + "@type": "SamplingRate" + }, + { + "@type": "Precision" } ] } ], "hasTask": { "@type": "ConstantCurrentDischarging", - "hasMeasurementParameter": [ + "hasInput": [ { "@type": "DischargingCurrent", "hasNumericalPart": { @@ -56,7 +118,7 @@ "hasMeasurementUnit": "emmo:Ampere" }, { - "@type": ["LowerVoltageLimit", "TerminationQuantity"], + "@type": ["LowerVoltageLimit"], "hasNumericalPart": { "@type": "Real", "hasNumericalValue": 2.4 @@ -66,7 +128,7 @@ ], "hasNext": { "@type": "ConstantCurrentCharging", - "hasMeasurementParameter": [ + "hasInput": [ { "@type": "ChargingCurrent", "hasNumericalPart": { @@ -76,7 +138,7 @@ "hasMeasurementUnit": "emmo:Ampere" }, { - "@type": ["UpperVoltageLimit", "TerminationQuantity"], + "@type": ["UpperVoltageLimit"], "hasNumericalPart": { "@type": "Real", "hasNumericalValue": 4.2 @@ -85,8 +147,8 @@ } ], "hasNext": { - "@type": "ConstantVoltageCharging", - "hasMeasurementParameter": [ + "@type": ["ConstantVoltageCharging", "EndTask"], + "hasInput": [ { "@type": "ChargingVoltage", "hasNumericalPart": { @@ -96,7 +158,7 @@ "hasMeasurementUnit": "emmo:Volt" }, { - "@type": ["UpperCurrentLimit", "TerminationQuantity"], + "@type": ["LowerCurrentLimit"], "hasNumericalPart": { "@type": "Real", "hasNumericalValue": 10 diff --git a/docs/assets/jsonld/fair_compliance_template.jsonld b/docs/assets/jsonld/fair_compliance_template.jsonld index 88c3f21..ff48502 100644 --- a/docs/assets/jsonld/fair_compliance_template.jsonld +++ b/docs/assets/jsonld/fair_compliance_template.jsonld @@ -12,8 +12,7 @@ }, "http://schema.org/license": "http://opendefinition.org/licenses/cc-by/", "dc:format": "application/ld+json", - "dc:accessRights": "public", - "dc:rights": "public", + "dc:accessRights": "open access", "dc:publisher": { "@type": "schema:ResearchOrganization", "@id": "https://ror.org/01f677e56", diff --git a/docs/examples/example_zinc_foil.ipynb b/docs/examples/example_zinc_foil.ipynb new file mode 100644 index 0000000..74fb53f --- /dev/null +++ b/docs/examples/example_zinc_foil.ipynb @@ -0,0 +1,137 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 12, + "metadata": {}, + "outputs": [], + "source": [ + "# Import necessary libraries\n", + "from rdflib import Graph\n", + "from ontopy import get_ontology\n", + "import json\n", + "\n", + "# Load the ontology\n", + "echo = get_ontology('https://w3id.org/emmo/domain/electrochemistry/inferred').load()\n" + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Diameter: 2 https://w3id.org/emmo#CentiMetre\n" + ] + } + ], + "source": [ + "# Create an RDF graph\n", + "g = Graph()\n", + "\n", + "# Load the JSON-LD data\n", + "json_ld_data = {\n", + " \"@context\": \"https://w3id.org/emmo/domain/electrochemistry/context\",\n", + " \"@type\": \"Electrode\",\n", + " \"schema:manufacturer\": {\n", + " \"@type\": \"schema:ResearchOrganization\",\n", + " \"@id\": \"https://www.wikidata.org/wiki/Q3041255\",\n", + " \"schema:name\": \"SINTEF\"\n", + " },\n", + " \"schema:creator\": {\n", + " \"@type\": \"schema:Person\",\n", + " \"@id\": \"https://orcid.org/0000-0002-8758-6109\",\n", + " \"schema:name\": \"Simon Clark\"\n", + " },\n", + " \"hasActiveMaterial\": {\n", + " \"@type\": [\"Zinc\", \"Foil\"]\n", + " },\n", + " \"hasProperty\": [\n", + " {\n", + " \"@type\": [\"SpecificCapacity\", \"MeasuredProperty\"],\n", + " \"hasNumericalPart\": {\n", + " \"@type\": \"Real\",\n", + " \"hasNumericalValue\": 800\n", + " },\n", + " \"hasMeasurementUnit\": \"emmo:MilliAmpereHourPerGram\"\n", + " },\n", + " {\n", + " \"@type\": [\"Thickness\", \"ConventionalProperty\"],\n", + " \"hasNumericalPart\": {\n", + " \"@type\": \"Real\",\n", + " \"hasNumericalValue\": 250\n", + " },\n", + " \"hasMeasurementUnit\": \"emmo:MicroMetre\"\n", + " },\n", + " {\n", + " \"@type\": [\"Diameter\", \"MeasuredProperty\"],\n", + " \"hasNumericalPart\": {\n", + " \"@type\": \"Real\",\n", + " \"hasNumericalValue\": 2\n", + " },\n", + " \"hasMeasurementUnit\": \"emmo:CentiMetre\"\n", + " },\n", + " {\n", + " \"@type\": [\"Mass\", \"MeasuredProperty\"],\n", + " \"hasNumericalPart\": {\n", + " \"@type\": \"Real\",\n", + " \"hasNumericalValue\": 2.5\n", + " },\n", + " \"hasMeasurementUnit\": \"emmo:Gram\"\n", + " }\n", + " ]\n", + "}\n", + "\n", + "# Convert JSON-LD data to RDF and add to the graph\n", + "g.parse(data=json.dumps(json_ld_data), format='json-ld')\n", + "\n", + "# Query the graph to get the diameter\n", + "query = f\"\"\"\n", + "SELECT ?diameterValue ?measurementUnit\n", + "WHERE {{\n", + " ?electrode a <{echo.Electrode.iri}> ;\n", + " <{echo.hasProperty.iri}> ?property .\n", + "\n", + " ?property a <{echo.Diameter.iri}> ;\n", + " <{echo.hasNumericalPart.iri}> ?numericalPart ;\n", + " <{echo.hasMeasurementUnit.iri}> ?measurementUnit .\n", + "\n", + " ?numericalPart <{echo.hasNumericalValue.iri}> ?diameterValue .\n", + "}}\n", + "\"\"\"\n", + "\n", + "# Run the query\n", + "results = g.query(query)\n", + "\n", + "# Print results\n", + "for row in results:\n", + " unit = row.measurementUnit\n", + " print(f\"Diameter: {row.diameterValue} {row.measurementUnit}\")\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": ".venv", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.10.10" + } + }, + "nbformat": 4, + "nbformat_minor": 2 +} diff --git a/docs/scripts/file b/docs/scripts/file new file mode 100644 index 0000000..23a97c3 --- /dev/null +++ b/docs/scripts/file @@ -0,0 +1 @@ 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\ No newline at end of file diff --git a/electrochemicalquantities.ttl b/electrochemicalquantities.ttl index 905f782..d124182 100644 --- a/electrochemicalquantities.ttl +++ b/electrochemicalquantities.ttl @@ -12,7 +12,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; owl:imports ; dcterms:abstract "This electrochemical quantities ontology is a domain of the Elementary Multiperspective Materials Ontology (EMMO). It is a specialized framework designed to represent and organize knowledge about electrochemical quantities. It is designed to integrate with the electrochemistry domain ontology or other ontologies from the EMMO ecosystem. The main focus of this ontology is to provide machine-readable descriptions of common electrochemical quantities, linking both to the larger descriptions of physical quantities in EMMO as well as other sources of information like the IEC, QUDT, Wikidata, etc. It should be used to support linked data generation in the electrochemistry domain."@en ; dcterms:contributor , @@ -21,7 +21,7 @@ dcterms:creator , ; dcterms:license "https://creativecommons.org/licenses/by/4.0/legalcode" ; - owl:versionInfo "0.20.0-beta" . + owl:versionInfo "0.21.0-beta" . ################################################################# # Annotation properties diff --git a/electrochemistry-inferred.ttl b/electrochemistry-inferred.ttl index 90a869d..e6e222a 100644 --- a/electrochemistry-inferred.ttl +++ b/electrochemistry-inferred.ttl @@ -7,7 +7,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; ""@en , "CHAMEO is a domain ontology designed to model the common aspects across the different characterisation techniques and methodologies."@en , """Defines physical quantities in the International System of Quantities (ISQ). ISQ was made an official ISO standard in 2009 and is defined in the ISO/IEC 80000 standard. @@ -145,13 +145,11 @@ The symbolic module includes symbols, symbolic constructs and formal languages." ; "https://w3id.org/emmo/domain/characterisation-methodology/chameo" ; "2024-04-12" , - "2024-07-15"^^xsd:date , - "2024-07-24"^^xsd:date ; + "2024-08-14"^^xsd:date ; "https://creativecommons.org/licenses/by/4.0/legalcode" , "https://creativecommons.org/licenses/by/4.0/legalcode"@en ; "2024-04-12" , - "2024-07-05"^^xsd:date , - "2024-07-15"^^xsd:date ; + "2024-08-14"^^xsd:date ; "EMMC ASBL" , "EMMC ASBL"@en , """EMMC ASBL @@ -241,12 +239,12 @@ We kindly acknowledge NIST for reusing their content, including the selection of "You can contact EMMO Authors via emmo@emmc.eu"@en ; owl:backwardCompatibleWith "" , " " , - "0.19.0-beta" ; - owl:priorVersion "0.19.0-beta" , - "0.6.0-beta" , + "0.20.0-beta" ; + owl:priorVersion "0.20.0-beta" , + "0.7.0-beta" , "1.0.0-beta2" ; - owl:versionInfo "0.20.0-beta" , - "0.7.0-beta" , + owl:versionInfo "0.21.0-beta" , + "0.8.0-beta" , "1.0.0-beta3" , "1.0.0-beta7" ; "CHAMEO" ; @@ -606,6 +604,11 @@ owl:qualifiedCardinality rdf:type owl:AnnotationProperty . "the value of the standard InChI of a chemical substance"@en . +### https://w3id.org/emmo/domain/chemical-substance#substance_7fd07cf9_9736_48be_963c_f924ada8ac46 + rdf:type owl:AnnotationProperty ; + "canonicalSMILES"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_097ea615_c209_4edd_a1a1_5eea71d98fe8 rdf:type owl:AnnotationProperty ; "maccorLabel"@en ; @@ -36861,6 +36864,17 @@ Wear is defined as the progressive removal of the material from a solid surface "TransitionMetalSaltCompound"@en . +### https://w3id.org/emmo/domain/chemical-substance#substance_0160f86c_e567_40d4_a457_25cf170e7ef2 + rdf:type owl:Class ; + rdfs:subClassOf ; + "NonStoichiometricSiliconOxide"@en , + "SiOx" ; + "SiliconOxide"@en ; + "https://www.wikidata.org/wiki/Q110930085"@en ; + "an oxide of silicon with the general form SiOx where the stoichiometry of oxygen, x, is between 1 and 2"@en ; + "SiOx" . + + ### https://w3id.org/emmo/domain/chemical-substance#substance_02172b42_6e67_439c_93f4_42e7949268ce rdf:type owl:Class ; rdfs:subClassOf ; @@ -41467,7 +41481,7 @@ Wear is defined as the progressive removal of the material from a solid surface ### https://w3id.org/emmo/domain/chemical-substance#substance_a9218f8f_2e80_497e_b968_b4947cf21802 rdf:type owl:Class ; - rdfs:subClassOf ; + rdfs:subClassOf ; "ZirconiumOxideCompound"@en . @@ -42427,6 +42441,20 @@ Wear is defined as the progressive removal of the material from a solid surface "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" . +### https://w3id.org/emmo/domain/chemical-substance#substance_c4b64c5b_2a2c_4e19_a4c5_2c9ac037d3e3 + rdf:type owl:Class ; + rdfs:subClassOf ; + "SiO" ; + "SiliconMonoxide"@en ; + "https://www.wikidata.org/wiki/Q414909" ; + "https://pubchem.ncbi.nlm.nih.gov/compound/66241" ; + "SiO" ; + "https://en.wikipedia.org/wiki/Silicon_monoxide" ; + "oxosilicon" ; + "InChI=1S/OSi/c1-2" ; + "O=[Si]" . + + ### https://w3id.org/emmo/domain/chemical-substance#substance_c4d116ed_258d_482c_8632_5c8229e7b245 rdf:type owl:Class ; rdfs:subClassOf ; @@ -43285,6 +43313,12 @@ Wear is defined as the progressive removal of the material from a solid surface "substance that can act as an acid or a base"@en . +### https://w3id.org/emmo/domain/chemical-substance#substance_de2123d1_7ba2_4d3a_837d_a51a5c9170b8 + rdf:type owl:Class ; + rdfs:subClassOf ; + "NonMetalOxide"@en . + + ### https://w3id.org/emmo/domain/chemical-substance#substance_de52b69b_3c86_4f1c_a467_7a1fa411bc36 rdf:type owl:Class ; rdfs:subClassOf ; @@ -44327,6 +44361,21 @@ Wear is defined as the progressive removal of the material from a solid surface "InChI=1S/Al.3BrH/h;3*1H/q+3;;;/p-3" . +### https://w3id.org/emmo/domain/chemical-substance#substance_fef7bf51_9187_4c3b_94e8_91ac7593fd21 + rdf:type owl:Class ; + rdfs:subClassOf ; + "SiO2" , + "Silica"@en ; + "SiliconDioxide"@en ; + "https://www.wikidata.org/wiki/Q116269" ; + "https://pubchem.ncbi.nlm.nih.gov/compound/24261" ; + "SiO2" ; + "https://en.wikipedia.org/wiki/Silicon_dioxide" ; + "dioxosilane"@en ; + "InChI=1S/O2Si/c1-3-2" ; + "O=[Si]=O" . + + ### https://w3id.org/emmo/domain/chemical-substance#substance_ff0f6cb9_d9e7_4a9e_848f_02200eed0cf7 rdf:type owl:Class ; rdfs:subClassOf ; @@ -44379,6 +44428,14 @@ Wear is defined as the progressive removal of the material from a solid surface "InChI=1S/Pb" . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_00244072_8d24_4e34_9f6a_c7b2b132b2c8 + rdf:type owl:Class ; + rdfs:subClassOf , + ; + "PseudoOpenCircuitVoltageTest"@en ; + "a test where an electrochemical device is operated at a very low current, approximating equilibrium behaviour, in order to extract a pseudo-open-circuit-voltage profile"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_0089729b_5890_4c15_aa09_1244d41f8626 rdf:type owl:Class ; rdfs:subClassOf ; @@ -46317,10 +46374,6 @@ Aluminum foil"""@en . owl:onProperty ; owl:someValuesFrom ] , - [ rdf:type owl:Restriction ; - owl:onProperty ; - owl:someValuesFrom - ] , [ rdf:type owl:Restriction ; owl:onProperty ; owl:someValuesFrom @@ -47582,6 +47635,13 @@ The real (true) area, A_{real}, takes into account non-idealities of the interfa "a prismatic case with a nominal length of 27 mm, width of 148 mm, and height of 98 mm"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_50fef664_83c3_4ca5_808c_efaa1acc51b2 + rdf:type owl:Class ; + rdfs:subClassOf ; + "DiffusionData"@en ; + "data that describes the mass diffusivity of some particle under some stated conditions"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_510e4061_c4fa_49aa_a052_23ad56098eda rdf:type owl:Class ; rdfs:subClassOf ; @@ -47835,6 +47895,13 @@ The real (true) area, A_{real}, takes into account non-idealities of the interfa "an electrode that is coated on both sides of the current collector"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_571c1ae9_c4bf_48ab_babf_536153d22a0b + rdf:type owl:Class ; + rdfs:subClassOf ; + "ElectrolyticConductivityData"@en ; + "data that describes the electrolytic conductivitysome material under some stated conditions"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_573be62a_5aae_4984_9a51_7c50845493df rdf:type owl:Class ; rdfs:subClassOf ; @@ -49091,7 +49158,7 @@ Cl2, Hg | Hg2SO4, and Hg | HgO, can be used as reference electrodes in aqueous s , [ rdf:type owl:Restriction ; owl:onProperty ; - owl:someValuesFrom + owl:someValuesFrom ] ; "TimeSeriesDataSet"@en ; "https://www.wikidata.org/wiki/Q186588" ; @@ -50472,6 +50539,13 @@ G° or ΔrG , written as a reduction with respect to that of the standard hydrog "an electrode in which the primary active material consists of tin or tin compounds"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a17b9fd0_b005_41eb_b685_e212fc4cecea + rdf:type owl:Class ; + rdfs:subClassOf ; + "DischargingData"@en ; + "data that is obtained from experiment or simulation during a discharging process"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a17ee4e0_c81a_4a64_9ecb_9c6fa022cf4d rdf:type owl:Class ; rdfs:subClassOf , @@ -50636,6 +50710,15 @@ G° or ΔrG , written as a reduction with respect to that of the standard hydrog ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a49d9cd1_bec8_4d1d_9657_d47983e9135d + rdf:type owl:Class ; + rdfs:subClassOf ; + "POCVData"@en , + "PseudoOCVData"@en ; + "PseudoOpenCircuitVoltageData"@en ; + "a dataset resulting from a pseudo-open-circuit voltage experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a4dfa5c1_55a9_4285_b71d_90cf6613ca31 rdf:type owl:Class ; rdfs:subClassOf , @@ -50983,6 +51066,14 @@ G° or ΔrG , written as a reduction with respect to that of the standard hydrog "a coin case with a nominal diameter of 11.6 mm and a height of 4.2 mm"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_ac2ffdd9_09cf_42a7_ba6a_1c6968e9a8a5 + rdf:type owl:Class ; + rdfs:subClassOf ; + "GITTData"@en ; + "GalvanostaticIntermittentTitrationTechniqueData"@en ; + "a dataset resulting from a galvanostatic intermittent titration technique experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_ac6c2371_995a_4fcb_89a2_15cb6615741e rdf:type owl:Class ; rdfs:subClassOf , @@ -51463,6 +51554,20 @@ of other configurations are used."""@en . ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b7ea60b2_18f4_4588_bf19_55539c8e8888 + rdf:type owl:Class ; + rdfs:subClassOf ; + "ExchangeCurrentDensityData"@en ; + "data that describes the exchange current density of some material or electrode under some stated conditions"@en . + + +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b7f05e67_d7e8_469f_971f_0cb4d4c7e857 + rdf:type owl:Class ; + rdfs:subClassOf ; + "PulseResponseData"@en ; + "time series data that contains a controlled pulse and the response of a system"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b812e9d0_7c58_4455_b3e7_6847f10c8e8a rdf:type owl:Class ; rdfs:subClassOf , @@ -51760,6 +51865,13 @@ of other configurations are used."""@en . ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_bf7bfbcb_0698_47af_8678_af92b2f10414 + rdf:type owl:Class ; + rdfs:subClassOf ; + "ChargingData"@en ; + "data that is obtained from experiment or simulation during a charging process"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_bfbefff0_4df5_47c2_9943_5f42cf268e9e rdf:type owl:Class ; rdfs:subClassOf ; @@ -51767,6 +51879,14 @@ of other configurations are used."""@en . "an electroanalytical technique that involves applying a constant current to a working electrode to strip previously deposited analyte from the electrode surface while measuring the potential change over time"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_c052cab7_46eb_4a87_b7a4_05be2572db22 + rdf:type owl:Class ; + rdfs:subClassOf ; + "EISData"@en ; + "ElectrochemicalImpedanceSpectroscopyData"@en ; + "a dataset resulting from an electrochemical impedance spectroscopy experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_c05692eb_ae92_4e03_b355_f259f9089cb8 rdf:type owl:Class ; rdfs:subClassOf ; @@ -54233,13 +54353,13 @@ In either case, the magnitude of the catalytic current depends on the applied po "The universe is considered as a causally self-connected object, encompassing all other objects. For this reason is unique."@en . -[ owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger +[ owl:qualifiedCardinality "4"^^xsd:nonNegativeInteger ] . [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ] . -[ owl:qualifiedCardinality "4"^^xsd:nonNegativeInteger +[ owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ] . [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger @@ -54260,6 +54380,9 @@ In either case, the magnitude of the catalytic current depends on the applied po [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ] . +[ owl:minQualifiedCardinality "2"^^xsd:nonNegativeInteger + ] . + [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ] . @@ -54278,9 +54401,6 @@ In either case, the magnitude of the catalytic current depends on the applied po [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ] . -[ owl:minQualifiedCardinality "2"^^xsd:nonNegativeInteger - ] . - [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ] . diff --git a/electrochemistry.ttl b/electrochemistry.ttl index 936f9ba..bd862a5 100644 --- a/electrochemistry.ttl +++ b/electrochemistry.ttl @@ -16,10 +16,10 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; owl:imports , - , - ; + , + ; dcterms:abstract "The Electrochemistry Domain Ontology, a specialized domain within the Elementary Multiperspective Materials Ontology (EMMO), encompasses essential terms and relationships for electrochemical systems, materials, methods, and data. Its primary objective is to enable the creation of linked and FAIR (Findable, Accessible, Interoperable, and Reusable) data, thereby fostering advancements in research and innovation within the realm of electrochemistry. This ontology serves as a foundational resource for harmonizing electrochemical knowledge representation, enhancing data interoperability, and accelerating progress in electrochemical research and development."@en ; dcterms:bibliographicCitation "https://doi.org/10.5281/zenodo.7693664" ; dcterms:contributor , @@ -28,9 +28,9 @@ dcterms:created "2022-11-25"^^xsd:date ; dcterms:creator , ; - dcterms:issued "2024-07-24"^^xsd:date ; + dcterms:issued "2024-08-14"^^xsd:date ; dcterms:license "https://creativecommons.org/licenses/by/4.0/legalcode" ; - dcterms:modified "2024-07-05"^^xsd:date ; + dcterms:modified "2024-08-14"^^xsd:date ; dcterms:publisher "EMMO" ; dcterms:source , , @@ -41,9 +41,9 @@ bibo:status "unstable" ; vann:preferredNamespacePrefix "echem" ; vann:preferredNamespaceUri "https://w3id.org/emmo/domain/electrochemistry" ; - owl:backwardCompatibleWith "0.19.0-beta" ; - owl:priorVersion "0.19.0-beta" ; - owl:versionInfo "0.20.0-beta" ; + owl:backwardCompatibleWith "0.20.0-beta" ; + owl:priorVersion "0.20.0-beta" ; + owl:versionInfo "0.21.0-beta" ; foaf:logo "https://raw.githubusercontent.com/emmo-repo/domain-electrochemistry/gh-pages/assets/img/fig/png/domain-electrochemistry-logo.png" . ################################################################# @@ -238,6 +238,13 @@ schema:name rdf:type owl:AnnotationProperty . ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_00244072_8d24_4e34_9f6a_c7b2b132b2c8 +:electrochemistry_00244072_8d24_4e34_9f6a_c7b2b132b2c8 rdf:type owl:Class ; + rdfs:subClassOf ; + skos:prefLabel "PseudoOpenCircuitVoltageTest"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a test where an electrochemical device is operated at a very low current, approximating equilibrium behaviour, in order to extract a pseudo-open-circuit-voltage profile"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_01260656_ac32_472e_9513_a607366538ec :electrochemistry_01260656_ac32_472e_9513_a607366538ec rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_19abaccd_43be_4048_965c_e4fb63c5951b , @@ -1409,10 +1416,6 @@ Aluminum foil"""@en . owl:onProperty emmo:EMMO_dba27ca1_33c9_4443_a912_1519ce4c39ec ; owl:someValuesFrom :electrochemistry_4d09ddc4_7e71_4712_afab_b33d8df38983 ] , - [ rdf:type owl:Restriction ; - owl:onProperty emmo:EMMO_dba27ca1_33c9_4443_a912_1519ce4c39ec ; - owl:someValuesFrom :electrochemistry_58ad1d22_3803_4c95_a137_207cfebe242a - ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_dba27ca1_33c9_4443_a912_1519ce4c39ec ; owl:someValuesFrom :electrochemistry_efaca8db_a3e0_4188_9c9b_ed0037966725 @@ -2276,6 +2279,13 @@ Aluminum foil"""@en . emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a prismatic case with a nominal length of 27 mm, width of 148 mm, and height of 98 mm"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_50fef664_83c3_4ca5_808c_efaa1acc51b2 +:electrochemistry_50fef664_83c3_4ca5_808c_efaa1acc51b2 rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:prefLabel "DiffusionData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "data that describes the mass diffusivity of some particle under some stated conditions"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_510e4061_c4fa_49aa_a052_23ad56098eda :electrochemistry_510e4061_c4fa_49aa_a052_23ad56098eda rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_9a823d64_9d10_4a29_9cbd_9bbdad7985bc ; @@ -2427,6 +2437,13 @@ Aluminum foil"""@en . emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "an electrode that is coated on both sides of the current collector"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_571c1ae9_c4bf_48ab_babf_536153d22a0b +:electrochemistry_571c1ae9_c4bf_48ab_babf_536153d22a0b rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:prefLabel "ElectrolyticConductivityData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "data that describes the electrolytic conductivitysome material under some stated conditions"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_573be62a_5aae_4984_9a51_7c50845493df :electrochemistry_573be62a_5aae_4984_9a51_7c50845493df rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_bbb1d95b_72d1_44f6_b07e_a3d7d41ac215 ; @@ -3228,7 +3245,7 @@ Cl2, Hg | Hg2SO4, and Hg | HgO, can be used as reference electrodes in aqueous s emmo:EMMO_1cba0b27_15d0_4326_933f_379d0b3565b6 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_dba27ca1_33c9_4443_a912_1519ce4c39ec ; - owl:someValuesFrom :electrochemistry_496c8f31_9732_42c1_8eae_dd73979c06eb + owl:someValuesFrom :electrochemistry_58ad1d22_3803_4c95_a137_207cfebe242a ] ; skos:prefLabel "TimeSeriesDataSet"@en ; emmo:EMMO_26bf1bef_d192_4da6_b0eb_d2209698fb54 "https://www.wikidata.org/wiki/Q186588" ; @@ -4216,6 +4233,13 @@ Cl2, Hg | Hg2SO4, and Hg | HgO, can be used as reference electrodes in aqueous s emmo:EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "an electrode in which the primary active material consists of tin or tin compounds"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a17b9fd0_b005_41eb_b685_e212fc4cecea +:electrochemistry_a17b9fd0_b005_41eb_b685_e212fc4cecea rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:prefLabel "DischargingData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "data that is obtained from experiment or simulation during a discharging process"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a1ec9e3c_c624_4848_af13_89a6bc54d77c :electrochemistry_a1ec9e3c_c624_4848_af13_89a6bc54d77c rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_92147e31_d015_4889_a092_04fbab033f15 ; @@ -4350,6 +4374,15 @@ Cl2, Hg | Hg2SO4, and Hg | HgO, can be used as reference electrodes in aqueous s ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a49d9cd1_bec8_4d1d_9657_d47983e9135d +:electrochemistry_a49d9cd1_bec8_4d1d_9657_d47983e9135d rdf:type owl:Class ; + rdfs:subClassOf :electrochemistry_31e8052d_bede_43c6_8b41_d51bb24c9489 ; + skos:altLabel "POCVData"@en , + "PseudoOCVData"@en ; + skos:prefLabel "PseudoOpenCircuitVoltageData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a dataset resulting from a pseudo-open-circuit voltage experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_a4e7c3d6_45bd_402a_962f_5d4b88af84ff :electrochemistry_a4e7c3d6_45bd_402a_962f_5d4b88af84ff rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_3979cd56_6256_414d_966c_7f723bf71e37 ; @@ -4522,6 +4555,14 @@ Cl2, Hg | Hg2SO4, and Hg | HgO, can be used as reference electrodes in aqueous s emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a coin case with a nominal diameter of 11.6 mm and a height of 4.2 mm"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_ac2ffdd9_09cf_42a7_ba6a_1c6968e9a8a5 +:electrochemistry_ac2ffdd9_09cf_42a7_ba6a_1c6968e9a8a5 rdf:type owl:Class ; + rdfs:subClassOf :electrochemistry_31e8052d_bede_43c6_8b41_d51bb24c9489 ; + skos:altLabel "GITTData"@en ; + skos:prefLabel "GalvanostaticIntermittentTitrationTechniqueData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a dataset resulting from a galvanostatic intermittent titration technique experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_ac6c2371_995a_4fcb_89a2_15cb6615741e :electrochemistry_ac6c2371_995a_4fcb_89a2_15cb6615741e rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_d3e2d213_d078_4b9a_8beb_62f063e57d69 , @@ -4912,6 +4953,20 @@ of other configurations are used."""@en . ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b7ea60b2_18f4_4588_bf19_55539c8e8888 +:electrochemistry_b7ea60b2_18f4_4588_bf19_55539c8e8888 rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:prefLabel "ExchangeCurrentDensityData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "data that describes the exchange current density of some material or electrode under some stated conditions"@en . + + +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b7f05e67_d7e8_469f_971f_0cb4d4c7e857 +:electrochemistry_b7f05e67_d7e8_469f_971f_0cb4d4c7e857 rdf:type owl:Class ; + rdfs:subClassOf :electrochemistry_31e8052d_bede_43c6_8b41_d51bb24c9489 ; + skos:prefLabel "PulseResponseData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "time series data that contains a controlled pulse and the response of a system"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_b812e9d0_7c58_4455_b3e7_6847f10c8e8a :electrochemistry_b812e9d0_7c58_4455_b3e7_6847f10c8e8a rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_5cb107ba_7daa_46dd_8f9f_da22a6eac676 , @@ -5136,6 +5191,13 @@ of other configurations are used."""@en . ] . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_bf7bfbcb_0698_47af_8678_af92b2f10414 +:electrochemistry_bf7bfbcb_0698_47af_8678_af92b2f10414 rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:prefLabel "ChargingData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "data that is obtained from experiment or simulation during a charging process"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_bfbefff0_4df5_47c2_9943_5f42cf268e9e :electrochemistry_bfbefff0_4df5_47c2_9943_5f42cf268e9e rdf:type owl:Class ; rdfs:subClassOf :electrochemistry_5548f188_df00_4c05_ae98_7846e92efe36 ; @@ -5143,6 +5205,14 @@ of other configurations are used."""@en . emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "an electroanalytical technique that involves applying a constant current to a working electrode to strip previously deposited analyte from the electrode surface while measuring the potential change over time"@en . +### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_c052cab7_46eb_4a87_b7a4_05be2572db22 +:electrochemistry_c052cab7_46eb_4a87_b7a4_05be2572db22 rdf:type owl:Class ; + rdfs:subClassOf emmo:EMMO_194e367c_9783_4bf5_96d0_9ad597d48d9a ; + skos:altLabel "EISData"@en ; + skos:prefLabel "ElectrochemicalImpedanceSpectroscopyData"@en ; + emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "a dataset resulting from an electrochemical impedance spectroscopy experiment or simulation"@en . + + ### https://w3id.org/emmo/domain/electrochemistry#electrochemistry_c05692eb_ae92_4e03_b355_f259f9089cb8 :electrochemistry_c05692eb_ae92_4e03_b355_f259f9089cb8 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_494b372c_cfdf_47d3_a4de_5e037c540de8 ; diff --git a/requirements.txt b/requirements.txt index d79ba9f..23194ff 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1 +1,3 @@ EMMOntoPy>=0.4.0,<1 +jupyter +rdflib \ No newline at end of file