{"id":"https://openalex.org/W2995123572","doi":"https://doi.org/10.1080/00268976.2019.1699185","title":"Influence of dispersive long-range interactions on properties of vapour\u2013liquid equilibria and interfaces of binary Lennard-Jones mixtures","display_name":"Influence of dispersive long-range interactions on properties of vapour\u2013liquid equilibria and interfaces of binary Lennard-Jones mixtures","publication_year":2019,"publication_date":"2019-12-11","ids":{"openalex":"https://openalex.org/W2995123572","doi":"https://doi.org/10.1080/00268976.2019.1699185","mag":"2995123572"},"language":"en","primary_location":{"id":"doi:10.1080/00268976.2019.1699185","doi":"https://doi.org/10.1080/00268976.2019.1699185","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2019.1699185","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://figshare.com/articles/journal_contribution/Influence_of_dispersive_long-range_interactions_on_properties_of_vapour_liquid_equilibria_and_interfaces_of_binary_Lennard-Jones_mixtures/11356955","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5039993321","display_name":"Simon Stephan","orcid":"https://orcid.org/0000-0002-4578-3569","observed_orcids":["https://orcid.org/0000-0002-4578-3569"]},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046","https://openalex.org/I4387152675"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Simon Stephan","raw_affiliation_strings":["Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039117244","display_name":"Hans Hasse","orcid":"https://orcid.org/0000-0003-4612-5995","observed_orcids":["https://orcid.org/0000-0003-4612-5995"]},"institutions":[{"id":"https://openalex.org/I153267046","display_name":"University of Kaiserslautern","ror":"https://ror.org/04zrf7b53","country_code":"DE","type":"education","lineage":["https://openalex.org/I153267046","https://openalex.org/I4387152675"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Hans Hasse","raw_affiliation_strings":["Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5039993321"],"corresponding_institution_ids":["https://openalex.org/I153267046"],"apc_list":null,"apc_paid":null,"fwci":3.3923,"has_fulltext":false,"cited_by_count":66,"citation_normalized_percentile":{"value":0.9461269,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":100},"biblio":{"volume":"118","issue":"9-10","first_page":"e1699185","last_page":"e1699185"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0032999999821186066,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T13604","display_name":"Adsorption, diffusion, and thermodynamic properties of materials","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/binary-lennard-jones-mixtures","display_name":"Lennard-Jones binary mixture","score":0.9580000042915344},{"id":"https://openalex.org/keywords/vapor-liquid-equilibrium","display_name":"vapor-liquid equilibrium","score":0.9599999785423279},{"id":"https://openalex.org/keywords/liquid-liquid-interface","display_name":"liquid-liquid interface","score":0.7350000143051147},{"id":"https://openalex.org/keywords/azeotropes","display_name":"azeotropes","score":0.8740000128746033},{"id":"https://openalex.org/keywords/surface-tension","display_name":"surface tension","score":0.9160000085830688},{"id":"https://openalex.org/keywords/interfacial-layer-thickness","display_name":"interfacial layer thickness","score":0.9779999852180481},{"id":"https://openalex.org/keywords/adsorption","display_name":"adsorption","score":0.7409999966621399},{"id":"https://openalex.org/keywords/henry-s-law-constant","display_name":"Henry's law constant","score":0.9660000205039978},{"id":"https://openalex.org/keywords/phase-envelope","display_name":"phase envelope","score":0.8429999947547913},{"id":"https://openalex.org/keywords/density-gradient-theory","display_name":"density gradient theory","score":0.6309999823570251}],"concepts":[{"id":"https://openalex.org/C151572726","wikidata":"https://www.wikidata.org/wiki/Q325401","display_name":"Azeotrope","level":3,"score":0.754576563835144},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.7492608428001404},{"id":"https://openalex.org/C118419359","wikidata":"https://www.wikidata.org/wiki/Q682585","display_name":"Supercritical fluid","level":2,"score":0.5949045419692993},{"id":"https://openalex.org/C157777378","wikidata":"https://www.wikidata.org/wiki/Q41716","display_name":"Boiling","level":2,"score":0.573887825012207},{"id":"https://openalex.org/C8892853","wikidata":"https://www.wikidata.org/wiki/Q170749","display_name":"Surface tension","level":2,"score":0.5620582103729248},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.5589004755020142},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5447448492050171},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.517732560634613},{"id":"https://openalex.org/C142508316","wikidata":"https://www.wikidata.org/wiki/Q898493","display_name":"Lennard-Jones potential","level":3,"score":0.462985634803772},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.4454376697540283},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.42565932869911194},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.30164483189582825},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.16575974225997925},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.11712482571601868},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10505616664886475},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C204030448","wikidata":"https://www.wikidata.org/wiki/Q101017","display_name":"Distillation","level":2,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","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/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1080/00268976.2019.1699185","doi":"https://doi.org/10.1080/00268976.2019.1699185","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2019.1699185","pdf_url":null,"source":{"id":"https://openalex.org/S204809294","display_name":"Molecular Physics","issn_l":"0026-8976","issn":["0026-8976","1362-3028"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Physics","raw_type":"journal-article"},{"id":"pmh:oai:figshare.com:article/11356955","doi":null,"is_oa":true,"landing_page_url":"https://figshare.com/articles/journal_contribution/Influence_of_dispersive_long-range_interactions_on_properties_of_vapour_liquid_equilibria_and_interfaces_of_binary_Lennard-Jones_mixtures/11356955","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"doi:10.6084/m9.figshare.11356955.v1","doi":"https://doi.org/10.6084/m9.figshare.11356955.v1","is_oa":true,"landing_page_url":"https://doi.org/10.6084/m9.figshare.11356955.v1","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:figshare.com:article/11356955","doi":null,"is_oa":true,"landing_page_url":"https://figshare.com/articles/journal_contribution/Influence_of_dispersive_long-range_interactions_on_properties_of_vapour_liquid_equilibria_and_interfaces_of_binary_Lennard-Jones_mixtures/11356955","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2811843910","display_name":"Enrichment of Components at Interfaces and Mass Transfer in Fluid Separation Technologies","funder_award_id":"694807","funder_id":"https://openalex.org/F4320338335","funder_display_name":"H2020 European Research Council"}],"funders":[{"id":"https://openalex.org/F4320338335","display_name":"H2020 European Research Council","ror":"https://ror.org/0472cxd90"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":71,"referenced_works":["https://openalex.org/W1480586711","https://openalex.org/W1590307523","https://openalex.org/W1591393979","https://openalex.org/W1672937535","https://openalex.org/W1674352656","https://openalex.org/W1963936127","https://openalex.org/W1966083872","https://openalex.org/W1969796179","https://openalex.org/W1976393807","https://openalex.org/W1977062509","https://openalex.org/W1983664767","https://openalex.org/W1984104023","https://openalex.org/W1985941941","https://openalex.org/W2004291098","https://openalex.org/W2005274395","https://openalex.org/W2006755239","https://openalex.org/W2009430785","https://openalex.org/W2011726109","https://openalex.org/W2013821125","https://openalex.org/W2016950206","https://openalex.org/W2018721471","https://openalex.org/W2041288968","https://openalex.org/W2047201083","https://openalex.org/W2047278139","https://openalex.org/W2047422651","https://openalex.org/W2047607838","https://openalex.org/W2050884686","https://openalex.org/W2051263396","https://openalex.org/W2053060980","https://openalex.org/W2055563624","https://openalex.org/W2057526358","https://openalex.org/W2058267163","https://openalex.org/W2059473569","https://openalex.org/W2064847013","https://openalex.org/W2069181636","https://openalex.org/W2078402834","https://openalex.org/W2080344028","https://openalex.org/W2080731433","https://openalex.org/W2086338279","https://openalex.org/W2088898664","https://openalex.org/W2095350034","https://openalex.org/W2098242689","https://openalex.org/W2100248238","https://openalex.org/W2112227491","https://openalex.org/W2118592030","https://openalex.org/W2129005151","https://openalex.org/W2145347951","https://openalex.org/W2168725496","https://openalex.org/W2171472628","https://openalex.org/W2172383494","https://openalex.org/W2196401009","https://openalex.org/W2228503723","https://openalex.org/W2319259686","https://openalex.org/W2322240320","https://openalex.org/W2517334113","https://openalex.org/W2517573003","https://openalex.org/W2591817220","https://openalex.org/W2738426921","https://openalex.org/W2748212797","https://openalex.org/W2791637661","https://openalex.org/W2890578267","https://openalex.org/W2894876733","https://openalex.org/W2939256725","https://openalex.org/W2944037643","https://openalex.org/W2962742941","https://openalex.org/W2963198271","https://openalex.org/W2980408268","https://openalex.org/W3046487237","https://openalex.org/W3131037138","https://openalex.org/W4234347480","https://openalex.org/W4248098888"],"related_works":["https://openalex.org/W4316814132","https://openalex.org/W2011768125","https://openalex.org/W3002166511","https://openalex.org/W7057699827","https://openalex.org/W3134811355","https://openalex.org/W7029261713","https://openalex.org/W2166344834","https://openalex.org/W3093015476","https://openalex.org/W2013821125","https://openalex.org/W4399867577"],"abstract_inverted_index":{"The":[0,31,139,190],"influence":[1,113,146,171,196],"of":[2,8,13,83,98,114,155,172,184,201],"dispersive":[3,72,140],"long-range":[4,116,141,174,191],"interactions":[5,142,175,192],"on":[6,147,176,197],"properties":[7],"vapour\u2013liquid":[9,186],"equilibria":[10],"and":[11,26,91,130,151,163,180],"interfaces":[12],"six":[14],"binary":[15],"Lennard-Jones":[16],"(LJ)":[17],"mixtures":[18,32,78],"was":[19,74,104,188],"studied":[20,157],"by":[21],"molecular":[22],"dynamics":[23],"(MD)":[24],"simulations":[25,123],"density":[27],"gradient":[28],"theory":[29],"(DGT).":[30],"were":[33,58,86,120],"investigated":[34,203],"at":[35,40,67],"a":[36,95,144],"constant":[37],"temperature":[38],"T,":[39],"which":[41,45],"the":[42,47,63,70,100,112,115,127,135,148,152,156,160,164,170,173,181,185,198,202],"low-boiling":[43,89],"component,":[44],"is":[46,52,61,65],"same":[48],"in":[49],"all":[50],"mixtures,":[51,158],"subcritical.":[53],"Two":[54],"different":[55,81],"high-boiling":[56,92],"components":[57],"considered:":[59],"one":[60],"subcritical,":[62],"other":[64],"supercritical":[66],"T.":[68],"Furthermore,":[69,169],"unlike":[71],"interaction":[73],"varied":[75],"such":[76],"that":[77],"with":[79,122,126],"three":[80],"types":[82],"phase":[84,182],"behaviour":[85],"obtained:":[87],"ideal,":[88],"azeotrope,":[90],"azeotrope.":[93],"In":[94],"first":[96],"series":[97],"simulations,":[99],"full":[101],"LJ":[102,128],"potential":[103,133],"used":[105],"to":[106],"describe":[107],"these":[108,118],"mixtures.":[109],"To":[110],"assess":[111],"interactions,":[117],"results":[119],"compared":[121],"carried":[124],"out":[125],"truncated":[129],"shifted":[131],"(LJTS)":[132],"applying":[134],"corresponding":[136],"states":[137],"principle.":[138],"have":[143,193],"significant":[145],"surface":[149],"tension":[150],"interfacial":[153],"thickness":[154],"whereas":[159],"relative":[161],"adsorption":[162],"enrichment":[165],"are":[166],"hardly":[167],"affected.":[168],"Henry's":[177],"law":[178],"constants":[179],"envelopes":[183],"equilibrium":[187],"investigated.":[189],"practically":[194],"no":[195],"composition":[199],"dependency":[200],"mixture":[204],"properties.":[205]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":17},{"year":2022,"cited_by_count":12},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2019-12-26T00:00:00"}