{"id":"https://openalex.org/W3082610296","doi":"https://doi.org/10.1080/00268976.2020.1810798","title":"Mass transfer through vapour\u2013liquid interfaces: a molecular dynamics simulation study","display_name":"Mass transfer through vapour\u2013liquid interfaces: a molecular dynamics simulation study","publication_year":2020,"publication_date":"2020-08-27","ids":{"openalex":"https://openalex.org/W3082610296","doi":"https://doi.org/10.1080/00268976.2020.1810798","mag":"3082610296"},"language":"en","primary_location":{"id":"doi:10.1080/00268976.2020.1810798","doi":"https://doi.org/10.1080/00268976.2020.1810798","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2020.1810798","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/Mass_transfer_through_vapour_liquid_interfaces_a_molecular_dynamics_simulation_study/12871577","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","Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":"https://orcid.org/0000-0002-4578-3569","affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","institution_ids":["https://openalex.org/I153267046"]},{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050795422","display_name":"Dominik Schaefer","orcid":"https://orcid.org/0000-0003-2544-1278","observed_orcids":["https://orcid.org/0000-0003-2544-1278"]},"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":"Dominik Schaefer","raw_affiliation_strings":["Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","institution_ids":["https://openalex.org/I153267046"]},{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany","institution_ids":["https://openalex.org/I153267046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017776540","display_name":"Kai Langenbach","orcid":"https://orcid.org/0000-0001-5025-6360","observed_orcids":["https://orcid.org/0000-0001-5025-6360"]},"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":"Kai Langenbach","raw_affiliation_strings":["Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":"https://orcid.org/0000-0001-5025-6360","affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","institution_ids":["https://openalex.org/I153267046"]},{"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","Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Kaiserslautern, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern","institution_ids":["https://openalex.org/I153267046"]},{"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":3.7653,"has_fulltext":true,"cited_by_count":52,"citation_normalized_percentile":{"value":0.95475516,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"119","issue":"3","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.41530001163482666,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.41530001163482666,"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/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.3788999915122986,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.055799998342990875,"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/mass-transfer","display_name":"mass transfer","score":0.8519999980926514},{"id":"https://openalex.org/keywords/liquid-vapor-interface","display_name":"liquid-vapor interface","score":0.8849999904632568},{"id":"https://openalex.org/keywords/chemical-potential-gradient","display_name":"chemical potential gradient","score":0.6579999923706055},{"id":"https://openalex.org/keywords/binary-lennard-jones-mixtures","display_name":"Lennard-Jones binary mixture","score":0.9350000023841858},{"id":"https://openalex.org/keywords/interfacial-enrichment","display_name":"interfacial enrichment","score":0.8289999961853027},{"id":"https://openalex.org/keywords/mass-flux","display_name":"mass flux","score":0.7279999852180481},{"id":"https://openalex.org/keywords/dispersion-interactions","display_name":"dispersion interactions","score":0.7839999794960022},{"id":"https://openalex.org/keywords/binary-mixtures","display_name":"binary mixtures","score":0.41999998688697815}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7836460471153259},{"id":"https://openalex.org/C51038369","wikidata":"https://www.wikidata.org/wiki/Q909534","display_name":"Mass transfer","level":2,"score":0.6415313482284546},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6119369864463806},{"id":"https://openalex.org/C20556612","wikidata":"https://www.wikidata.org/wiki/Q4469374","display_name":"Volume (thermodynamics)","level":2,"score":0.5983518362045288},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5960676670074463},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5106673836708069},{"id":"https://openalex.org/C168167062","wikidata":"https://www.wikidata.org/wiki/Q1117970","display_name":"Component (thermodynamics)","level":2,"score":0.49424031376838684},{"id":"https://openalex.org/C157777378","wikidata":"https://www.wikidata.org/wiki/Q41716","display_name":"Boiling","level":2,"score":0.49103379249572754},{"id":"https://openalex.org/C91738503","wikidata":"https://www.wikidata.org/wiki/Q3265048","display_name":"Mass flux","level":2,"score":0.47364675998687744},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4494639039039612},{"id":"https://openalex.org/C68709404","wikidata":"https://www.wikidata.org/wiki/Q1134475","display_name":"Flux (metallurgy)","level":2,"score":0.4158879816532135},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.19279584288597107},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.12972906231880188},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.12946957349777222},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.08563488721847534}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1080/00268976.2020.1810798","doi":"https://doi.org/10.1080/00268976.2020.1810798","is_oa":false,"landing_page_url":"https://doi.org/10.1080/00268976.2020.1810798","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/12871577","doi":null,"is_oa":true,"landing_page_url":"https://figshare.com/articles/journal_contribution/Mass_transfer_through_vapour_liquid_interfaces_a_molecular_dynamics_simulation_study/12871577","pdf_url":"https://figshare.com/articles/journal_contribution/Mass_transfer_through_vapour_liquid_interfaces_a_molecular_dynamics_simulation_study/12871577","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.12871577.v2","doi":"https://doi.org/10.6084/m9.figshare.12871577.v2","is_oa":true,"landing_page_url":"https://doi.org/10.6084/m9.figshare.12871577.v2","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/12871577","doi":null,"is_oa":true,"landing_page_url":"https://figshare.com/articles/journal_contribution/Mass_transfer_through_vapour_liquid_interfaces_a_molecular_dynamics_simulation_study/12871577","pdf_url":"https://figshare.com/articles/journal_contribution/Mass_transfer_through_vapour_liquid_interfaces_a_molecular_dynamics_simulation_study/12871577","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":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3082610296.pdf","grobid_xml":"https://content.openalex.org/works/W3082610296.grobid-xml"},"referenced_works_count":93,"referenced_works":["https://openalex.org/W170299757","https://openalex.org/W1539629142","https://openalex.org/W1674352656","https://openalex.org/W1967650384","https://openalex.org/W1967890386","https://openalex.org/W1968012572","https://openalex.org/W1975108131","https://openalex.org/W1978496774","https://openalex.org/W1984104023","https://openalex.org/W1984883549","https://openalex.org/W1989733649","https://openalex.org/W1993820876","https://openalex.org/W1994365703","https://openalex.org/W1994825294","https://openalex.org/W1996114216","https://openalex.org/W1996793468","https://openalex.org/W1998813637","https://openalex.org/W2002275648","https://openalex.org/W2011726109","https://openalex.org/W2016969237","https://openalex.org/W2017123469","https://openalex.org/W2020066310","https://openalex.org/W2021929941","https://openalex.org/W2032990371","https://openalex.org/W2036825295","https://openalex.org/W2041288968","https://openalex.org/W2043246276","https://openalex.org/W2044930424","https://openalex.org/W2045254762","https://openalex.org/W2046528357","https://openalex.org/W2048750369","https://openalex.org/W2050346427","https://openalex.org/W2050884686","https://openalex.org/W2054343084","https://openalex.org/W2057186597","https://openalex.org/W2057901371","https://openalex.org/W2063334953","https://openalex.org/W2066536926","https://openalex.org/W2067417742","https://openalex.org/W2068610345","https://openalex.org/W2070449122","https://openalex.org/W2085503949","https://openalex.org/W2090222901","https://openalex.org/W2093457727","https://openalex.org/W2125541881","https://openalex.org/W2142440513","https://openalex.org/W2142690230","https://openalex.org/W2147544749","https://openalex.org/W2159633700","https://openalex.org/W2162082827","https://openalex.org/W2162520244","https://openalex.org/W2179588604","https://openalex.org/W2291064234","https://openalex.org/W2309722675","https://openalex.org/W2322240320","https://openalex.org/W2332922940","https://openalex.org/W2395968730","https://openalex.org/W2472736057","https://openalex.org/W2514220240","https://openalex.org/W2517573003","https://openalex.org/W2560820488","https://openalex.org/W2569713119","https://openalex.org/W2576672839","https://openalex.org/W2592631567","https://openalex.org/W2624885502","https://openalex.org/W2737299124","https://openalex.org/W2748212797","https://openalex.org/W2791637661","https://openalex.org/W2891137924","https://openalex.org/W2894876733","https://openalex.org/W2895823937","https://openalex.org/W2906625031","https://openalex.org/W2939256725","https://openalex.org/W2944037643","https://openalex.org/W2948157154","https://openalex.org/W2962742941","https://openalex.org/W2965442005","https://openalex.org/W2972503931","https://openalex.org/W2975443388","https://openalex.org/W2980408268","https://openalex.org/W2981000446","https://openalex.org/W2995123572","https://openalex.org/W2995395520","https://openalex.org/W2997259488","https://openalex.org/W3002166511","https://openalex.org/W3025881741","https://openalex.org/W3030702696","https://openalex.org/W3038622970","https://openalex.org/W3046487237","https://openalex.org/W4214777302","https://openalex.org/W4231745114","https://openalex.org/W4234347480","https://openalex.org/W4248788323"],"related_works":["https://openalex.org/W4323807301","https://openalex.org/W4293051868","https://openalex.org/W4386153410","https://openalex.org/W2948157154","https://openalex.org/W4415300301","https://openalex.org/W2087793779","https://openalex.org/W4293580626","https://openalex.org/W2142440513","https://openalex.org/W4407957741","https://openalex.org/W4400691673"],"abstract_inverted_index":{"A":[0],"quasi-stationary":[1],"molecular":[2],"dynamics":[3],"simulation":[4,36,84,87],"method":[5,29,88],"for":[6,91,163],"studying":[7],"mass":[8,61,155],"transfer":[9],"through":[10],"vapour\u2013liquid":[11,58,110],"interfaces":[12],"of":[13,18,82,93,104,157],"mixtures":[14,125,166],"driven":[15],"by":[16,65],"gradients":[17],"the":[19,24,46,67,74,79,83,105,109,129,139,145,154,158,164,176,179],"chemical":[20,68,141],"potential":[21,69,142],"based":[22],"on":[23,50],"dual":[25],"control":[26,71],"volume":[27,37],"(DCV)":[28],"is":[30,63,112,119],"described":[31],"and":[32,114],"tested.":[33],"The":[34,60,86,123],"rectangular":[35],"contains":[38],"three":[39],"bulk":[40,133],"domains:":[41],"a":[42,101],"liquid":[43],"domain":[44],"in":[45,70,73,99,116,128,147,153],"middle":[47],"with":[48],"vapour":[49,75],"each":[51],"side":[52],"such":[53],"that":[54],"there":[55,118],"are":[56,136],"two":[57,94,124,165],"interfaces.":[59,180],"flux":[62,156],"generated":[64],"prescribing":[66],"volumes":[72],"domains":[76],"close":[77],"to":[78,175],"outer":[80],"boundary":[81],"volume.":[85],"was":[89,144],"applied":[90],"studies":[92],"binary":[95],"Lennard-Jones":[96],"mixtures:":[97],"one":[98],"which":[100,117,171],"strong":[102],"enrichment":[103,177],"low-boiling":[106,159],"component":[107,160],"at":[108,167,178],"interface":[111],"observed":[113,162],"another":[115],"practically":[120],"no":[121],"enrichment.":[122],"differ":[126],"only":[127],"dispersive":[130],"interactions;":[131],"their":[132],"diffusion":[134],"coefficients":[135],"similar.":[137],"Furthermore,":[138],"prescribed":[140],"difference":[143],"same":[146],"all":[148,168],"simulations.":[149],"Nevertheless,":[150],"important":[151],"differences":[152],"were":[161],"studied":[169],"temperatures":[170],"might":[172],"be":[173],"related":[174]},"counts_by_year":[{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":14},{"year":2022,"cited_by_count":16},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2020-09-08T00:00:00"}