{"id":"https://openalex.org/W4210459557","doi":"https://doi.org/10.1515/jnet-2021-0080","title":"A Robust Physics-Based Calculation of Evolving Gas\u2013Liquid Interfaces","display_name":"A Robust Physics-Based Calculation of Evolving Gas\u2013Liquid Interfaces","publication_year":2022,"publication_date":"2022-02-04","ids":{"openalex":"https://openalex.org/W4210459557","doi":"https://doi.org/10.1515/jnet-2021-0080"},"language":"en","primary_location":{"id":"doi:10.1515/jnet-2021-0080","doi":"https://doi.org/10.1515/jnet-2021-0080","is_oa":true,"landing_page_url":"https://doi.org/10.1515/jnet-2021-0080","pdf_url":"https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/pdf","source":{"id":"https://openalex.org/S201183278","display_name":"Journal of Non-Equilibrium Thermodynamics","issn_l":"0340-0204","issn":["0340-0204","1437-4358"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Non-Equilibrium Thermodynamics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024979566","display_name":"Luk\u00e1\u0161 \u0160atura","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I9073902","display_name":"University of Chemistry and Technology, Prague","ror":"https://ror.org/05ggn0a85","country_code":"CZ","type":"education","lineage":["https://openalex.org/I9073902"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Luk\u00e1\u0161 \u0160atura","raw_affiliation_strings":["Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic","institution_ids":["https://openalex.org/I9073902"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025117496","display_name":"M\u00e1ria Minichov\u00e1","orcid":"https://orcid.org/0000-0003-2258-939X","observed_orcids":["https://orcid.org/0000-0003-2258-939X"]},"institutions":[{"id":"https://openalex.org/I4210109708","display_name":"Helmholtz Institute Erlangen-N\u00fcrnberg","ror":"https://ror.org/01vs6se76","country_code":"DE","type":"government","lineage":["https://openalex.org/I1305996414","https://openalex.org/I171892758","https://openalex.org/I4210109708"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"M\u00e1ria Minichov\u00e1","raw_affiliation_strings":["557193 Helmholtz Institute Erlangen-N\u00fcrnberg for Renewable Energy , Egerlandstr. 3 , Erlangen , Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"557193 Helmholtz Institute Erlangen-N\u00fcrnberg for Renewable Energy , Egerlandstr. 3 , Erlangen , Germany","institution_ids":["https://openalex.org/I4210109708"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027685578","display_name":"Michal Pavelka","orcid":"https://orcid.org/0000-0003-0605-6737","observed_orcids":["https://orcid.org/0000-0003-0605-6737"]},"institutions":[{"id":"https://openalex.org/I21250087","display_name":"Charles University","ror":"https://ror.org/024d6js02","country_code":"CZ","type":"education","lineage":["https://openalex.org/I21250087"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Michal Pavelka","raw_affiliation_strings":["Mathematical Institute, Faculty of Mathematics and Physics , 138735 Charles University , Sokolovsk\u00e1 49/83 , Praha 8 , Czech Republic"],"raw_orcid":"https://orcid.org/0000-0003-0605-6737","affiliations":[{"raw_affiliation_string":"Mathematical Institute, Faculty of Mathematics and Physics , 138735 Charles University , Sokolovsk\u00e1 49/83 , Praha 8 , Czech Republic","institution_ids":["https://openalex.org/I21250087"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004257421","display_name":"Juraj Ko\u0161ek","orcid":"https://orcid.org/0000-0002-1164-8510","observed_orcids":["https://orcid.org/0000-0002-1164-8510"]},"institutions":[{"id":"https://openalex.org/I9073902","display_name":"University of Chemistry and Technology, Prague","ror":"https://ror.org/05ggn0a85","country_code":"CZ","type":"education","lineage":["https://openalex.org/I9073902"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Juraj Kosek","raw_affiliation_strings":["Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic","institution_ids":["https://openalex.org/I9073902"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5069942694","display_name":"Alexandr Zubov","orcid":"https://orcid.org/0000-0003-2494-9934","observed_orcids":["https://orcid.org/0000-0003-2494-9934"]},"institutions":[{"id":"https://openalex.org/I9073902","display_name":"University of Chemistry and Technology, Prague","ror":"https://ror.org/05ggn0a85","country_code":"CZ","type":"education","lineage":["https://openalex.org/I9073902"]}],"countries":["CZ"],"is_corresponding":true,"raw_author_name":"Alexandr Zubov","raw_affiliation_strings":["Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic"],"raw_orcid":"https://orcid.org/0000-0003-2494-9934","affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering , 52735 University of Chemistry and Technology Prague , Technick\u00e1 5 , Praha 6 , Czech Republic","institution_ids":["https://openalex.org/I9073902"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5069942694"],"corresponding_institution_ids":["https://openalex.org/I9073902"],"apc_list":{"value":2000,"currency":"EUR","value_usd":2107},"apc_paid":{"value":2000,"currency":"EUR","value_usd":2107},"fwci":0.2609,"has_fulltext":true,"cited_by_count":5,"citation_normalized_percentile":{"value":0.31409124,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"47","issue":"2","first_page":"143","last_page":"154"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11382","display_name":"Fluid Dynamics and Heat Transfer","score":0.43549999594688416,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"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/T11382","display_name":"Fluid Dynamics and Heat Transfer","score":0.43549999594688416,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"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/T11087","display_name":"Solidification and crystal growth phenomena","score":0.34470000863075256,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.03060000017285347,"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/density-gradient-theory","display_name":"density gradient theory","score":0.8640000224113464},{"id":"https://openalex.org/keywords/diffuse-interface","display_name":"diffuse interface","score":0.8339999914169312},{"id":"https://openalex.org/keywords/gas-liquid-interface","display_name":"gas-liquid interface","score":0.9440000057220459},{"id":"https://openalex.org/keywords/interfacial-energy","display_name":"interfacial energy","score":0.8339999914169312},{"id":"https://openalex.org/keywords/phase-separation","display_name":"phase separation","score":0.7059999704360962},{"id":"https://openalex.org/keywords/free-energy-minimization","display_name":"free energy minimization","score":0.8270000219345093},{"id":"https://openalex.org/keywords/parameter-free-model","display_name":"parameter-free model","score":0.4269999861717224},{"id":"https://openalex.org/keywords/binary-mixtures","display_name":"binary mixtures","score":0.6869999766349792},{"id":"https://openalex.org/keywords/numerical-stability","display_name":"numerical stability","score":0.37599998712539673}],"concepts":[{"id":"https://openalex.org/C147764199","wikidata":"https://www.wikidata.org/wiki/Q6865248","display_name":"Minification","level":2,"score":0.7720760107040405},{"id":"https://openalex.org/C14961307","wikidata":"https://www.wikidata.org/wiki/Q5377176","display_name":"Energy minimization","level":2,"score":0.7068983316421509},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5571305751800537},{"id":"https://openalex.org/C112680207","wikidata":"https://www.wikidata.org/wiki/Q714886","display_name":"Regular polygon","level":2,"score":0.5428802967071533},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5009932518005371},{"id":"https://openalex.org/C2983502797","wikidata":"https://www.wikidata.org/wiki/Q828402","display_name":"Energy density","level":2,"score":0.4573476016521454},{"id":"https://openalex.org/C195839","wikidata":"https://www.wikidata.org/wiki/Q901959","display_name":"Surface energy","level":2,"score":0.4477168619632721},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4239214360713959},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.4187937080860138},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.41390901803970337},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.38638758659362793},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3737456798553467},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19943904876708984},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.19139835238456726},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.18020302057266235},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.15916171669960022},{"id":"https://openalex.org/C6556556","wikidata":"https://www.wikidata.org/wiki/Q899239","display_name":"Contact angle","level":2,"score":0.09324425458908081},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.08199217915534973},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07743757963180542},{"id":"https://openalex.org/C54517805","wikidata":"https://www.wikidata.org/wiki/Q7456118","display_name":"Sessile drop technique","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1515/jnet-2021-0080","doi":"https://doi.org/10.1515/jnet-2021-0080","is_oa":true,"landing_page_url":"https://doi.org/10.1515/jnet-2021-0080","pdf_url":"https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/pdf","source":{"id":"https://openalex.org/S201183278","display_name":"Journal of Non-Equilibrium Thermodynamics","issn_l":"0340-0204","issn":["0340-0204","1437-4358"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Non-Equilibrium Thermodynamics","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1515/jnet-2021-0080","doi":"https://doi.org/10.1515/jnet-2021-0080","is_oa":true,"landing_page_url":"https://doi.org/10.1515/jnet-2021-0080","pdf_url":"https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/pdf","source":{"id":"https://openalex.org/S201183278","display_name":"Journal of Non-Equilibrium Thermodynamics","issn_l":"0340-0204","issn":["0340-0204","1437-4358"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310313990","host_organization_name":"De Gruyter","host_organization_lineage":["https://openalex.org/P4310313990"],"host_organization_lineage_names":["De Gruyter"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Non-Equilibrium Thermodynamics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3810418597","display_name":"Particle-based models of polymer latexes at realistic temporal and spatial scales","funder_award_id":"GA19-22834S","funder_id":"https://openalex.org/F4320321006","funder_display_name":"Grantov\u00e1 Agentura \u010cesk\u00e9 Republiky"}],"funders":[{"id":"https://openalex.org/F4320321006","display_name":"Grantov\u00e1 Agentura \u010cesk\u00e9 Republiky","ror":"https://ror.org/01pv73b02"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4210459557.pdf","grobid_xml":"https://content.openalex.org/works/W4210459557.grobid-xml"},"referenced_works_count":47,"referenced_works":["https://openalex.org/W67642650","https://openalex.org/W1674352656","https://openalex.org/W1968508314","https://openalex.org/W2000883098","https://openalex.org/W2014551531","https://openalex.org/W2017123469","https://openalex.org/W2026556992","https://openalex.org/W2044930424","https://openalex.org/W2046255530","https://openalex.org/W2046528357","https://openalex.org/W2054597656","https://openalex.org/W2061327523","https://openalex.org/W2070606732","https://openalex.org/W2072910054","https://openalex.org/W2076729365","https://openalex.org/W2080731433","https://openalex.org/W2082968474","https://openalex.org/W2087027428","https://openalex.org/W2105898331","https://openalex.org/W2129288307","https://openalex.org/W2130011159","https://openalex.org/W2134994273","https://openalex.org/W2171822760","https://openalex.org/W2322240320","https://openalex.org/W2416113133","https://openalex.org/W2467037531","https://openalex.org/W2524748915","https://openalex.org/W2545467941","https://openalex.org/W2559249761","https://openalex.org/W2740260416","https://openalex.org/W2751126003","https://openalex.org/W2789961568","https://openalex.org/W2804964118","https://openalex.org/W2894810453","https://openalex.org/W2914907359","https://openalex.org/W2944037643","https://openalex.org/W2946875900","https://openalex.org/W2963198271","https://openalex.org/W2970764068","https://openalex.org/W2971336555","https://openalex.org/W3025909825","https://openalex.org/W3030702696","https://openalex.org/W3038622970","https://openalex.org/W3097344934","https://openalex.org/W3103866228","https://openalex.org/W4232098568","https://openalex.org/W4245141834"],"related_works":["https://openalex.org/W2906089824","https://openalex.org/W1965794505","https://openalex.org/W2963198271","https://openalex.org/W2740260416","https://openalex.org/W2898733398","https://openalex.org/W2887001453","https://openalex.org/W3093015476","https://openalex.org/W2054324741","https://openalex.org/W4410169944","https://openalex.org/W2004914935"],"abstract_inverted_index":{"Abstract":[0],"Density":[1],"gradient":[2],"theory":[3],"describes":[4],"the":[5,19,36,46,52,57,64,68,74,81,84,88,100,116],"evolution":[6],"of":[7,18,25,35,54,56,67,73,87,130],"diffuse":[8],"interfaces":[9],"in":[10,63,83],"both":[11,121],"mixtures":[12],"and":[13,30,60,80,124,133],"pure":[14,122],"substances":[15,123],"by":[16,135],"minimization":[17,72],"total":[20],"free":[21,38,48,75,89,129],"energy,":[22],"which":[23],"consists":[24],"a":[26,108],"non-convex":[27],"bulk":[28,37],"part":[29,86],"an":[31],"interfacial":[32,47,85],"part.":[33],"Minimization":[34],"energy":[39,49,76,90],"causes":[40],"phase":[41],"separation":[42],"while":[43],"building":[44],"up":[45],"(proportional":[50],"to":[51,115],"square":[53],"gradients":[55],"species\u2019":[58],"densities)":[59],"it":[61],"results":[62],"equilibrium":[65],"shape":[66],"interface.":[69],"However,":[70],"direct":[71],"is":[77,128],"numerically":[78],"unstable":[79],"coefficients":[82],"are":[91],"often":[92],"estimated":[93],"from":[94,99],"experimental":[95,137],"data":[96],"(not":[97],"determined":[98],"underlying":[101],"physics).":[102],"In":[103],"this":[104],"paper":[105],"we":[106],"develop":[107],"robust":[109],"physics-based":[110],"numerical":[111],"approach":[112],"that":[113],"leads":[114],"interface":[117],"density":[118],"profiles":[119],"for":[120],"mixtures.":[125],"The":[126],"model":[127],"fitting":[131],"parameters":[132],"validated":[134],"available":[136],"data.":[138]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2022-02-08T00:00:00"}