{"id":"https://openalex.org/W2082911036","doi":"https://doi.org/10.1021/ci4005699","title":"ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 9. Extensible Thermodynamic Constraints for Pure Compounds and New Model Developments","display_name":"ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 9. Extensible Thermodynamic Constraints for Pure Compounds and New Model Developments","publication_year":2013,"publication_date":"2013-11-18","ids":{"openalex":"https://openalex.org/W2082911036","doi":"https://doi.org/10.1021/ci4005699","mag":"2082911036","pmid":"https://pubmed.ncbi.nlm.nih.gov/24245860"},"language":"en","primary_location":{"id":"doi:10.1021/ci4005699","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci4005699","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030586147","display_name":"Vladimir Diky","orcid":"https://orcid.org/0000-0003-3546-6559"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Vladimir Diky","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied Chemicals and Materials Division, National Institute of Standards and Technology , Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied Chemicals and Materials Division, National Institute of Standards and Technology , Boulder, Colorado 80305-3337, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073114894","display_name":"Robert D. Chirico","orcid":"https://orcid.org/0000-0001-7139-5378"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert D. Chirico","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005760386","display_name":"Chris D. Muzny","orcid":"https://orcid.org/0000-0003-1153-983X"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Chris D. Muzny","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110162021","display_name":"Andrei F. Kazakov","orcid":null},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Andrei F. Kazakov","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010117931","display_name":"Kenneth Kroenlein","orcid":null},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kenneth Kroenlein","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013081867","display_name":"Joseph W. Magee","orcid":"https://orcid.org/0000-0002-9312-8593"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Joseph W. Magee","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032910193","display_name":"Ilmutdin M. Abdulagatov","orcid":"https://orcid.org/0000-0002-6299-5280"},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ilmutdin Abdulagatov","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110344392","display_name":"Michael Frenkel","orcid":null},"institutions":[{"id":"https://openalex.org/I1321296531","display_name":"National Institute of Standards and Technology","ror":"https://ror.org/05xpvk416","country_code":"US","type":"funder","lineage":["https://openalex.org/I1321296531","https://openalex.org/I1343035065"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Frenkel","raw_affiliation_strings":["Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States"],"affiliations":[{"raw_affiliation_string":"Applied\rChemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]},{"raw_affiliation_string":"Applied#R#Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States","institution_ids":["https://openalex.org/I1321296531"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5030586147"],"corresponding_institution_ids":["https://openalex.org/I1321296531"],"apc_list":null,"apc_paid":null,"fwci":2.2539,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.87396161,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"53","issue":"12","first_page":"3418","last_page":"3430"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/unifac","display_name":"UNIFAC","score":0.7018362283706665},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6816100478172302},{"id":"https://openalex.org/keywords/extensibility","display_name":"Extensibility","score":0.5768750905990601},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.5206698179244995},{"id":"https://openalex.org/keywords/nist","display_name":"NIST","score":0.501471757888794},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.49848008155822754},{"id":"https://openalex.org/keywords/phase","display_name":"Phase (matter)","score":0.2635599970817566},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.21511846780776978},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.17851433157920837},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.14615407586097717}],"concepts":[{"id":"https://openalex.org/C187434265","wikidata":"https://www.wikidata.org/wiki/Q906212","display_name":"UNIFAC","level":4,"score":0.7018362283706665},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6816100478172302},{"id":"https://openalex.org/C32833848","wikidata":"https://www.wikidata.org/wiki/Q4115054","display_name":"Extensibility","level":2,"score":0.5768750905990601},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.5206698179244995},{"id":"https://openalex.org/C111219384","wikidata":"https://www.wikidata.org/wiki/Q6954384","display_name":"NIST","level":2,"score":0.501471757888794},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.49848008155822754},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.2635599970817566},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.21511846780776978},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.17851433157920837},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.14615407586097717},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0},{"id":"https://openalex.org/C2986159531","wikidata":"https://www.wikidata.org/wiki/Q752412","display_name":"Phase equilibrium","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D044367","descriptor_name":"Phase Transition","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D044367","descriptor_name":"Phase Transition","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D044367","descriptor_name":"Phase Transition","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci4005699","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci4005699","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:24245860","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24245860","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.550000011920929,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W81190352","https://openalex.org/W141911618","https://openalex.org/W304523915","https://openalex.org/W1528833876","https://openalex.org/W1964130033","https://openalex.org/W1965878508","https://openalex.org/W1967357378","https://openalex.org/W1967829800","https://openalex.org/W1976883040","https://openalex.org/W1982210647","https://openalex.org/W1993724099","https://openalex.org/W1999415630","https://openalex.org/W2001525422","https://openalex.org/W2004649351","https://openalex.org/W2004802121","https://openalex.org/W2009057123","https://openalex.org/W2013739520","https://openalex.org/W2016377594","https://openalex.org/W2028942065","https://openalex.org/W2032985775","https://openalex.org/W2040490050","https://openalex.org/W2048438785","https://openalex.org/W2053432604","https://openalex.org/W2053449904","https://openalex.org/W2055518063","https://openalex.org/W2056196550","https://openalex.org/W2057485421","https://openalex.org/W2070501844","https://openalex.org/W2075621462","https://openalex.org/W2087156944","https://openalex.org/W2092209773","https://openalex.org/W2105820763","https://openalex.org/W2129288307","https://openalex.org/W2136806041","https://openalex.org/W2144047865","https://openalex.org/W2151988102","https://openalex.org/W2163918103","https://openalex.org/W2171250148","https://openalex.org/W2900120050","https://openalex.org/W2915784695","https://openalex.org/W2917305752","https://openalex.org/W4229924904","https://openalex.org/W4230211724","https://openalex.org/W4239926841","https://openalex.org/W4240121377","https://openalex.org/W4246968826","https://openalex.org/W4249129848","https://openalex.org/W4253400081"],"related_works":["https://openalex.org/W2044194432","https://openalex.org/W2544903797","https://openalex.org/W35716725","https://openalex.org/W2807901368","https://openalex.org/W2376052787","https://openalex.org/W2158491338","https://openalex.org/W2069917279","https://openalex.org/W2263929114","https://openalex.org/W1986976005","https://openalex.org/W2074431117"],"abstract_inverted_index":{"ThermoData":[0],"Engine":[1],"(TDE)":[2],"is":[3,56],"the":[4,10,24,39,67,70,98,187,191,204],"first":[5],"full-scale":[6],"software":[7],"implementation":[8,27,86,101,135,202],"of":[9,34,41,60,66,69,76,81,102,122,124,136,148,159,172,190,203,207,217],"dynamic":[11],"data":[12],"evaluation":[13,216],"concept,":[14],"as":[15],"reported":[16],"in":[17,31,38,143,178],"this":[18],"journal.":[19],"The":[20,83],"present":[21],"article":[22],"describes":[23],"background":[25],"and":[26,44,85,132,166,181,200],"for":[28,47,52,87,105,120,126,145,151,156,196,209,214],"new":[29],"additions":[30],"latest":[32],"release":[33],"TDE.":[35],"Advances":[36],"are":[37,92,225],"areas":[40],"program":[42,62,179],"architecture":[43,63],"quality":[45,68],"improvement":[46,65],"automatic":[48],"property":[49,72,198],"evaluations,":[50],"particularly":[51],"pure":[53,127],"compounds.":[54],"It":[55],"shown":[57],"that":[58,108,183],"selection":[59],"appropriate":[61],"supports":[64],"on-demand":[71],"evaluations":[73],"through":[74,163,170],"application":[75],"a":[77],"readily":[78],"extensible":[79],"collection":[80],"constraints.":[82],"basis":[84],"other":[88],"enhancements":[89,96],"to":[90],"TDE":[91,144],"described":[93],"briefly.":[94],"Other":[95],"include":[97],"following:":[99],"(1)":[100],"model-validity":[103],"enforcement":[104],"specific":[106],"equations":[107],"can":[109],"provide":[110],"unphysical":[111],"results":[112],"if":[113],"unconstrained,":[114],"(2)":[115],"newly":[116],"refined":[117],"group-contribution":[118,139],"parameters":[119],"estimation":[121,147],"enthalpies":[123],"formation":[125],"compounds":[128],"containing":[129],"carbon,":[130],"hydrogen,":[131],"oxygen,":[133],"(3)":[134],"an":[137],"enhanced":[138],"method":[140],"(NIST-Modified":[141],"UNIFAC)":[142],"improved":[146],"phase-equilibrium":[149],"properties":[150,161],"binary":[152,210],"mixtures,":[153,211],"(4)":[154],"tools":[155],"mutual":[157],"validation":[158],"ideal-gas":[160],"derived":[162,168],"statistical":[164],"calculations":[165],"those":[167],"independently":[169],"combination":[171],"experimental":[173,197],"thermodynamic":[174],"results,":[175],"(5)":[176],"improvements":[177],"reliability":[180],"function":[182],"stem":[184],"directly":[185],"from":[186],"recent":[188],"redesign":[189],"TRC-SOURCE":[192],"Data":[193],"Archival":[194],"System":[195],"values,":[199],"(6)":[201],"Peng-Robinson":[205],"equation":[206],"state":[208],"which":[212],"allows":[213],"critical":[215],"mixtures":[218],"involving":[219],"supercritical":[220],"components.":[221],"Planned":[222],"future":[223],"developments":[224],"summarized.":[226]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":4}],"updated_date":"2026-03-31T07:56:22.981413","created_date":"2025-10-10T00:00:00"}