{"id":"https://openalex.org/W2012190847","doi":"https://doi.org/10.1039/fs9811600139","title":"A Monte Carlo study of fluid water in contact with structureless walls","display_name":"A Monte Carlo study of fluid water in contact with structureless walls","publication_year":1981,"publication_date":"1981-01-01","ids":{"openalex":"https://openalex.org/W2012190847","doi":"https://doi.org/10.1039/fs9811600139","mag":"2012190847"},"language":"en","primary_location":{"id":"doi:10.1039/fs9811600139","doi":"https://doi.org/10.1039/fs9811600139","is_oa":false,"landing_page_url":"https://doi.org/10.1039/fs9811600139","pdf_url":null,"source":{"id":"https://openalex.org/S8547227","display_name":"Faraday Symposia of the Chemical Society","issn_l":"0301-5696","issn":["0301-5696","2050-8441"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Faraday Symposia of the Chemical Society","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5048174019","display_name":"N I Christou","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nicos I. Christou","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019589092","display_name":"J.S. Whitehouse","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John S. Whitehouse","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073042673","display_name":"D. Nicholson","orcid":"https://orcid.org/0000-0002-7895-3560","observed_orcids":["https://orcid.org/0000-0002-7895-3560"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"David Nicholson","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5005049656","display_name":"N. G. Parsonage","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Neville G. Parsonage","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":2.5636,"has_fulltext":false,"cited_by_count":54,"citation_normalized_percentile":{"value":0.87520064,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"16","issue":null,"first_page":"139","last_page":"139"},"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":0.8695999979972839,"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":0.8695999979972839,"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":0.06889999657869339,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14488","display_name":"Chemical and Physical Studies","score":0.01759999990463257,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/confined-water","display_name":"confined water","score":0.7260000109672546},{"id":"https://openalex.org/keywords/water-structure","display_name":"water structure","score":0.5770000219345093},{"id":"https://openalex.org/keywords/dipole-distribution","display_name":"dipole distribution","score":0.7860000133514404},{"id":"https://openalex.org/keywords/pair-distribution-function","display_name":"pair distribution function","score":0.7279999852180481},{"id":"https://openalex.org/keywords/thermodynamic-properties","display_name":"thermodynamic properties","score":0.6389999985694885}],"concepts":[{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.6842862367630005},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6244599223136902},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.6178761124610901},{"id":"https://openalex.org/C112675119","wikidata":"https://www.wikidata.org/wiki/Q2992284","display_name":"Periodic boundary conditions","level":3,"score":0.5371646881103516},{"id":"https://openalex.org/C28556851","wikidata":"https://www.wikidata.org/wiki/Q1077753","display_name":"Canonical ensemble","level":3,"score":0.5343595743179321},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5173396468162537},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.4717467725276947},{"id":"https://openalex.org/C76563973","wikidata":"https://www.wikidata.org/wiki/Q189452","display_name":"Laminar flow","level":2,"score":0.4563099145889282},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4103274941444397},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3277231454849243},{"id":"https://openalex.org/C182310444","wikidata":"https://www.wikidata.org/wiki/Q1332643","display_name":"Boundary value problem","level":2,"score":0.27591192722320557},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23395323753356934},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0771017074584961},{"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/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1039/fs9811600139","doi":"https://doi.org/10.1039/fs9811600139","is_oa":false,"landing_page_url":"https://doi.org/10.1039/fs9811600139","pdf_url":null,"source":{"id":"https://openalex.org/S8547227","display_name":"Faraday Symposia of the Chemical Society","issn_l":"0301-5696","issn":["0301-5696","2050-8441"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Faraday Symposia of the Chemical Society","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"score":0.6700000166893005,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W3128269287","https://openalex.org/W1143221572","https://openalex.org/W2152090065","https://openalex.org/W71690741","https://openalex.org/W2055757117","https://openalex.org/W2368924260","https://openalex.org/W1537999034","https://openalex.org/W4321452459","https://openalex.org/W4236960805","https://openalex.org/W2067218714"],"abstract_inverted_index":{"A":[0],"canonical":[1],"ensemble":[2],"Monte":[3],"Carlo":[4],"method":[5],"has":[6],"been":[7],"used":[8],"to":[9,71,76],"examine":[10],"the":[11,17,34,43,67,72,77,87,93,104],"structure":[12],"of":[13,23,45,58,116,124],"fluid":[14],"water":[15,35,53,127],"in":[16,66,99],"space":[18],"between":[19,33,103],"two":[20,68],"walls,":[21],"each":[22],"which":[24],"exerted":[25],"a":[26,56],"9\u20133":[27],"potential.":[28],"The":[29,49,111],"intermolecular":[30],"pair":[31,97],"potential":[32],"molecules":[36,54],"was":[37],"that":[38],"proposed":[39],"by":[40],"Rowlinson":[41],"from":[42,128],"properties":[44,115],"ice":[46],"and":[47,61,89,92,96,108,113],"steam.":[48],"simulation":[50,129],"involved":[51],"216":[52],"at":[55],"temperature":[57],"298":[59],"K":[60],"employed":[62],"periodic":[63],"boundary":[64],"conditions":[65],"directions":[69],"parallel":[70],"surface.":[73],"In":[74],"addition":[75],"usual":[78],"thermodynamic":[79,112],"quantities":[80],"we":[81],"have":[82],"collected":[83],"singlet":[84],"distributions":[85,98],"for":[86,106],"oxygen":[88],"hydrogen":[90],"atoms":[91],"dipole":[94,109],"vector,":[95],"three":[100],"laminar":[101],"regions":[102],"walls":[105],"interatomic":[107],"pairs.":[110],"structural":[114],"our":[117],"non-uniform":[118],"sample":[119],"are":[120],"compared":[121],"with":[122],"those":[123],"uniform":[125],"bulk":[126],"data.":[130]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-10-14T16:39:01.820549","created_date":"2025-10-10T00:00:00"}