{"id":"https://openalex.org/W1998030468","doi":"https://doi.org/10.1021/jp711062a","title":"Theory and Computer Simulation of Solute Effects on the Surface Tension of Liquids","display_name":"Theory and Computer Simulation of Solute Effects on the Surface Tension of Liquids","publication_year":2008,"publication_date":"2008-07-01","ids":{"openalex":"https://openalex.org/W1998030468","doi":"https://doi.org/10.1021/jp711062a","mag":"1998030468","pmid":"https://pubmed.ncbi.nlm.nih.gov/18610955","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/2518983"},"language":"en","primary_location":{"id":"doi:10.1021/jp711062a","doi":"https://doi.org/10.1021/jp711062a","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp711062a","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"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":"The Journal of Physical Chemistry B","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2518983","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103926220","display_name":"Feng Chen","orcid":"https://orcid.org/0000-0002-4626-9457","observed_orcids":["https://orcid.org/0000-0002-4626-9457"]},"institutions":[{"id":"https://openalex.org/I189590672","display_name":"Kansas State University","ror":"https://ror.org/05p1j8758","country_code":"US","type":"education","lineage":["https://openalex.org/I189590672"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Feng Chen","raw_affiliation_strings":["Department of Chemistry, 111 Willard Hall, Kansas State University, Manhattan, Kansas 66506-3701"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, 111 Willard Hall, Kansas State University, Manhattan, Kansas 66506-3701","institution_ids":["https://openalex.org/I189590672"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091673051","display_name":"Paul E. Smith","orcid":"https://orcid.org/0000-0002-5565-3274","observed_orcids":["https://orcid.org/0000-0002-5565-3274"]},"institutions":[{"id":"https://openalex.org/I189590672","display_name":"Kansas State University","ror":"https://ror.org/05p1j8758","country_code":"US","type":"education","lineage":["https://openalex.org/I189590672"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Paul E. Smith","raw_affiliation_strings":["Department of Chemistry, 111 Willard Hall, Kansas State University, Manhattan, Kansas 66506-3701"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, 111 Willard Hall, Kansas State University, Manhattan, Kansas 66506-3701","institution_ids":["https://openalex.org/I189590672"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5091673051"],"corresponding_institution_ids":["https://openalex.org/I189590672"],"apc_list":null,"apc_paid":null,"fwci":3.0615,"has_fulltext":false,"cited_by_count":39,"citation_normalized_percentile":{"value":0.89737092,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"112","issue":"30","first_page":"8975","last_page":"8984"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.5878999829292297,"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"}},"topics":[{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.5878999829292297,"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"}},{"id":"https://openalex.org/T10721","display_name":"Surfactants and Colloidal Systems","score":0.15880000591278076,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.06270000338554382,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/surface-tension","display_name":"surface tension","score":0.8379999995231628},{"id":"https://openalex.org/keywords/solute-solvent-interface","display_name":"solute-solvent interface","score":0.8569999933242798},{"id":"https://openalex.org/keywords/radial-distribution-function","display_name":"radial distribution function","score":0.9440000057220459},{"id":"https://openalex.org/keywords/kirkwood-buff-theory","display_name":"Kirkwood-Buff theory","score":0.972000002861023},{"id":"https://openalex.org/keywords/surface-adsorption","display_name":"surface adsorption","score":0.8519999980926514},{"id":"https://openalex.org/keywords/surface-depletion","display_name":"surface depletion","score":0.8100000023841858},{"id":"https://openalex.org/keywords/nacl-solution","display_name":"NaCl solution","score":0.824999988079071},{"id":"https://openalex.org/keywords/aqueous-methanol","display_name":"aqueous methanol","score":0.9890000224113464},{"id":"https://openalex.org/keywords/interface-thermodynamics","display_name":"interface thermodynamics","score":0.7049999833106995},{"id":"https://openalex.org/keywords/computer-simulation","display_name":"computer simulation","score":0.4519999921321869}],"concepts":[{"id":"https://openalex.org/C8892853","wikidata":"https://www.wikidata.org/wiki/Q170749","display_name":"Surface tension","level":2,"score":0.8146442174911499},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.8135309219360352},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.6978729963302612},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.6417526006698608},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.5678785443305969},{"id":"https://openalex.org/C134786449","wikidata":"https://www.wikidata.org/wiki/Q3391255","display_name":"Planar","level":2,"score":0.5193765759468079},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4720512330532074},{"id":"https://openalex.org/C55352822","wikidata":"https://www.wikidata.org/wiki/Q5558978","display_name":"Gibbs isotherm","level":3,"score":0.4581642746925354},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4522472321987152},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44186750054359436},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3876839876174927},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.36902546882629395},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2947949469089508},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.21687263250350952},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1931368112564087},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1674536168575287},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.08760127425193787},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06932324171066284},{"id":"https://openalex.org/C121684516","wikidata":"https://www.wikidata.org/wiki/Q7600677","display_name":"Computer graphics (images)","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000327","descriptor_name":"Adsorption","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000432","descriptor_name":"Methanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012965","descriptor_name":"Sodium Chloride","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013499","descriptor_name":"Surface Properties","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}],"locations_count":4,"locations":[{"id":"doi:10.1021/jp711062a","doi":"https://doi.org/10.1021/jp711062a","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp711062a","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"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":"The Journal of Physical Chemistry B","raw_type":"journal-article"},{"id":"pmid:18610955","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18610955","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,"listed_in":[],"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":"The journal of physical chemistry. B","raw_type":"Journal Article"},{"id":"pmh:oai:europepmc.org:1932266","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2518983","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:2518983","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2518983","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"J Phys Chem B","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:europepmc.org:1932266","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2518983","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1975711127","display_name":"Accurate Simulations of Peptide Aggregation","funder_award_id":"R01GM079277","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":75,"referenced_works":["https://openalex.org/W1596574470","https://openalex.org/W1674352656","https://openalex.org/W1963819448","https://openalex.org/W1966165119","https://openalex.org/W1966176489","https://openalex.org/W1966571511","https://openalex.org/W1968003297","https://openalex.org/W1970157213","https://openalex.org/W1972217505","https://openalex.org/W1973636035","https://openalex.org/W1974049961","https://openalex.org/W1974704755","https://openalex.org/W1978105497","https://openalex.org/W1978463979","https://openalex.org/W1981021420","https://openalex.org/W1984271832","https://openalex.org/W1989234729","https://openalex.org/W1992112369","https://openalex.org/W1998427626","https://openalex.org/W2000733168","https://openalex.org/W2003798002","https://openalex.org/W2005668972","https://openalex.org/W2007836952","https://openalex.org/W2009455407","https://openalex.org/W2010474566","https://openalex.org/W2012911888","https://openalex.org/W2021558772","https://openalex.org/W2024806289","https://openalex.org/W2025655630","https://openalex.org/W2029205115","https://openalex.org/W2029940779","https://openalex.org/W2030752362","https://openalex.org/W2031672665","https://openalex.org/W2032865545","https://openalex.org/W2035266068","https://openalex.org/W2035687084","https://openalex.org/W2036460240","https://openalex.org/W2041014558","https://openalex.org/W2041257828","https://openalex.org/W2045874067","https://openalex.org/W2046431204","https://openalex.org/W2049475242","https://openalex.org/W2051068001","https://openalex.org/W2051263396","https://openalex.org/W2054531267","https://openalex.org/W2058125550","https://openalex.org/W2062354972","https://openalex.org/W2062746963","https://openalex.org/W2064546088","https://openalex.org/W2066118261","https://openalex.org/W2069142177","https://openalex.org/W2069809597","https://openalex.org/W2075320109","https://openalex.org/W2076084207","https://openalex.org/W2077251768","https://openalex.org/W2080731433","https://openalex.org/W2080979349","https://openalex.org/W2083149207","https://openalex.org/W2084992405","https://openalex.org/W2088960562","https://openalex.org/W2089752168","https://openalex.org/W2093806300","https://openalex.org/W2103945336","https://openalex.org/W2114468256","https://openalex.org/W2123768693","https://openalex.org/W2128572087","https://openalex.org/W2152309424","https://openalex.org/W2154389667","https://openalex.org/W2168440205","https://openalex.org/W2169429313","https://openalex.org/W2172383494","https://openalex.org/W2321099011","https://openalex.org/W2323174283","https://openalex.org/W4214777302","https://openalex.org/W4388401130"],"related_works":["https://openalex.org/W2036067408","https://openalex.org/W4417148454","https://openalex.org/W2067625945","https://openalex.org/W1975824971","https://openalex.org/W4246556910","https://openalex.org/W6889121366","https://openalex.org/W2064957181","https://openalex.org/W2056442297","https://openalex.org/W2007869663","https://openalex.org/W1551957879"],"abstract_inverted_index":{"A":[0],"complete":[1],"description":[2],"of":[3,6,15,41,66,76,89,102,121,124,130,140],"the":[4,13,29,38,45,56,61,64,72,111,122],"thermodynamics":[5,123],"planar":[7],"mixed":[8],"solute-solvent":[9],"interfaces":[10,126],"suitable":[11],"for":[12],"analysis":[14],"computer":[16],"simulation":[17],"data":[18],"is":[19,51],"provided.":[20],"The":[21,49,81,94,107],"approach":[22,50],"uses":[23],"surface":[24,62,67,91,104],"probability":[25],"distributions":[26],"to":[27,43,54,136],"characterize":[28,44],"interface":[30],"regions,":[31],"coupled":[32],"with":[33],"radial":[34],"distribution":[35],"functions":[36],"and":[37,71,116],"Kirkwood-Buff":[39],"theory":[40],"solutions":[42],"bulk":[46,73],"solution":[47,74,125],"properties.":[48],"then":[52],"used":[53],"understand":[55],"relationship":[57],"between":[58],"changes":[59],"in":[60],"tension,":[63],"degree":[65],"adsorption":[68],"or":[69],"depletion,":[70],"properties":[75],"two":[77],"aqueous":[78,83,96],"solute":[79],"systems.":[80,141],"first,":[82],"NaCl":[84],"solutions,":[85,98],"provides":[86,99],"an":[87,100],"example":[88,101],"a":[90,103,118,137],"excluded":[92],"solute.":[93,106],"second,":[95],"methanol":[97],"adsorbed":[105],"numerical":[108],"results":[109],"support":[110],"theoretical":[112],"relationships":[113],"described":[114],"here":[115],"provide":[117],"consistent":[119],"picture":[120],"involving":[127],"any":[128],"number":[129],"components":[131],"which":[132],"can":[133],"be":[134],"applied":[135],"wide":[138],"variety":[139]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":5},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
