{"id":"https://openalex.org/W2795018011","doi":"https://doi.org/10.1002/jcc.25219","title":"Time\u2010dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solution","display_name":"Time\u2010dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solution","publication_year":2018,"publication_date":"2018-03-31","ids":{"openalex":"https://openalex.org/W2795018011","doi":"https://doi.org/10.1002/jcc.25219","mag":"2795018011","pmid":"https://pubmed.ncbi.nlm.nih.gov/29604097"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.25219","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25219","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5084603348","display_name":"Kento Kasahara","orcid":"https://orcid.org/0000-0001-7138-250X"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4210129581","display_name":"Kyoto University of Education","ror":"https://ror.org/03zhhr656","country_code":"JP","type":"education","lineage":["https://openalex.org/I4210129581"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Kento Kasahara","raw_affiliation_strings":["Department of Molecular Engineering Kyoto University Kyoto 615\u20108510 Japan","Department of Molecular Engineering, Kyoto University, Kyoto, 615-8510 Japan"],"affiliations":[{"raw_affiliation_string":"Department of Molecular Engineering Kyoto University Kyoto 615\u20108510 Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4210129581"]},{"raw_affiliation_string":"Department of Molecular Engineering, Kyoto University, Kyoto, 615-8510 Japan","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5064310115","display_name":"Hirofumi Sato","orcid":"https://orcid.org/0000-0001-6266-9058"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I4210129581","display_name":"Kyoto University of Education","ror":"https://ror.org/03zhhr656","country_code":"JP","type":"education","lineage":["https://openalex.org/I4210129581"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Hirofumi Sato","raw_affiliation_strings":["Department of Molecular Engineering Kyoto University Kyoto 615\u20108510 Japan","Elements Strategy Initiative for Catalysts and Batteries (ESICB) Kyoto University, Nishikyo\u2010ku Kyoto 615\u20108520 Japan","Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Nishikyo-ku, Kyoto, 615-8520 Japan","Department of Molecular Engineering, Kyoto University, Kyoto, 615-8510 Japan"],"affiliations":[{"raw_affiliation_string":"Department of Molecular Engineering Kyoto University Kyoto 615\u20108510 Japan","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4210129581"]},{"raw_affiliation_string":"Elements Strategy Initiative for Catalysts and Batteries (ESICB) Kyoto University, Nishikyo\u2010ku Kyoto 615\u20108520 Japan","institution_ids":["https://openalex.org/I22299242"]},{"raw_affiliation_string":"Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Nishikyo-ku, Kyoto, 615-8520 Japan","institution_ids":["https://openalex.org/I22299242"]},{"raw_affiliation_string":"Department of Molecular Engineering, Kyoto University, Kyoto, 615-8510 Japan","institution_ids":["https://openalex.org/I22299242"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5064310115","https://openalex.org/A5084603348"],"corresponding_institution_ids":["https://openalex.org/I22299242","https://openalex.org/I4210129581"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.2212,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.44238411,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"39","issue":"20","first_page":"1491","last_page":"1497"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11936","display_name":"Chemical and Physical Properties in Aqueous Solutions","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1506","display_name":"Filtration and Separation"},"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/T11936","display_name":"Chemical and Physical Properties in Aqueous Solutions","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1506","display_name":"Filtration and Separation"},"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/T10962","display_name":"Thermodynamic properties of mixtures","score":0.9976999759674072,"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/T12274","display_name":"Electrostatics and Colloid Interactions","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"}}],"keywords":[{"id":"https://openalex.org/keywords/smoluchowski-coagulation-equation","display_name":"Smoluchowski coagulation equation","score":0.952083945274353},{"id":"https://openalex.org/keywords/electrolyte","display_name":"Electrolyte","score":0.7633276581764221},{"id":"https://openalex.org/keywords/monatomic-gas","display_name":"Monatomic gas","score":0.7499887943267822},{"id":"https://openalex.org/keywords/diffusion","display_name":"Diffusion","score":0.6406988501548767},{"id":"https://openalex.org/keywords/polyatomic-ion","display_name":"Polyatomic ion","score":0.6249122619628906},{"id":"https://openalex.org/keywords/distribution-function","display_name":"Distribution function","score":0.6173815131187439},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.5375605821609497},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5252870321273804},{"id":"https://openalex.org/keywords/pair-distribution-function","display_name":"Pair distribution function","score":0.5240060091018677},{"id":"https://openalex.org/keywords/distribution","display_name":"Distribution (mathematics)","score":0.5028170943260193},{"id":"https://openalex.org/keywords/radial-distribution-function","display_name":"Radial distribution function","score":0.4627988040447235},{"id":"https://openalex.org/keywords/pair-potential","display_name":"Pair potential","score":0.4471915066242218},{"id":"https://openalex.org/keywords/diffusion-equation","display_name":"Diffusion equation","score":0.43892306089401245},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.41916054487228394},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.41767457127571106},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.3986126482486725},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.32079511880874634},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.28643524646759033},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.2596791386604309},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.238160640001297},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.23061522841453552},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.20452073216438293},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16301274299621582},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1381513774394989},{"id":"https://openalex.org/keywords/electrode","display_name":"Electrode","score":0.08048790693283081}],"concepts":[{"id":"https://openalex.org/C143002175","wikidata":"https://www.wikidata.org/wiki/Q971184","display_name":"Smoluchowski coagulation equation","level":2,"score":0.952083945274353},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.7633276581764221},{"id":"https://openalex.org/C46844702","wikidata":"https://www.wikidata.org/wiki/Q2656117","display_name":"Monatomic gas","level":2,"score":0.7499887943267822},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.6406988501548767},{"id":"https://openalex.org/C66594872","wikidata":"https://www.wikidata.org/wiki/Q1064242","display_name":"Polyatomic ion","level":3,"score":0.6249122619628906},{"id":"https://openalex.org/C186603090","wikidata":"https://www.wikidata.org/wiki/Q55505926","display_name":"Distribution function","level":2,"score":0.6173815131187439},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5375605821609497},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5252870321273804},{"id":"https://openalex.org/C2779992002","wikidata":"https://www.wikidata.org/wiki/Q7125120","display_name":"Pair distribution function","level":2,"score":0.5240060091018677},{"id":"https://openalex.org/C110121322","wikidata":"https://www.wikidata.org/wiki/Q865811","display_name":"Distribution (mathematics)","level":2,"score":0.5028170943260193},{"id":"https://openalex.org/C135508586","wikidata":"https://www.wikidata.org/wiki/Q651160","display_name":"Radial distribution function","level":3,"score":0.4627988040447235},{"id":"https://openalex.org/C2777692963","wikidata":"https://www.wikidata.org/wiki/Q9634745","display_name":"Pair potential","level":2,"score":0.4471915066242218},{"id":"https://openalex.org/C571446","wikidata":"https://www.wikidata.org/wiki/Q6510183","display_name":"Diffusion equation","level":3,"score":0.43892306089401245},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.41916054487228394},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.41767457127571106},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3986126482486725},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.32079511880874634},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.28643524646759033},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2596791386604309},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.238160640001297},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23061522841453552},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.20452073216438293},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16301274299621582},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1381513774394989},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.08048790693283081},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0},{"id":"https://openalex.org/C2780378061","wikidata":"https://www.wikidata.org/wiki/Q25351891","display_name":"Service (business)","level":2,"score":0.0},{"id":"https://openalex.org/C136264566","wikidata":"https://www.wikidata.org/wiki/Q159810","display_name":"Economy","level":1,"score":0.0},{"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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.25219","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25219","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:29604097","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29604097","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,"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":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.46000000834465027,"display_name":"Life in Land","id":"https://metadata.un.org/sdg/15"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320912","display_name":"Ministry of Education, Culture, Sports, Science and Technology","ror":"https://ror.org/048rj2z13"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W33851185","https://openalex.org/W1507795625","https://openalex.org/W1979664495","https://openalex.org/W1987161922","https://openalex.org/W1992723064","https://openalex.org/W1998300725","https://openalex.org/W2000702472","https://openalex.org/W2001424244","https://openalex.org/W2011039932","https://openalex.org/W2017014438","https://openalex.org/W2019561790","https://openalex.org/W2030789455","https://openalex.org/W2033302151","https://openalex.org/W2036206278","https://openalex.org/W2049044493","https://openalex.org/W2049273893","https://openalex.org/W2065357711","https://openalex.org/W2066027459","https://openalex.org/W2068376486","https://openalex.org/W2078314467","https://openalex.org/W2079280953","https://openalex.org/W2088744266","https://openalex.org/W2089725762","https://openalex.org/W2093330134","https://openalex.org/W2098920641","https://openalex.org/W2125015239","https://openalex.org/W2132266695","https://openalex.org/W2294377524","https://openalex.org/W2325327503","https://openalex.org/W2334899772","https://openalex.org/W2481321346","https://openalex.org/W2739341758","https://openalex.org/W2749312193","https://openalex.org/W3106161372","https://openalex.org/W3106230104","https://openalex.org/W4229786028","https://openalex.org/W4256172841","https://openalex.org/W4388247411"],"related_works":["https://openalex.org/W2054649938","https://openalex.org/W2795018011","https://openalex.org/W1661504061","https://openalex.org/W1965698044","https://openalex.org/W1992960906","https://openalex.org/W2136200426","https://openalex.org/W1974188124","https://openalex.org/W1990798354","https://openalex.org/W2994756887","https://openalex.org/W2014826934"],"abstract_inverted_index":{"Time-dependent":[0],"pair":[1,55,63],"distribution":[2],"function":[3,18,33],"characterizes":[4],"the":[5,14,17,32,41,51],"diffusion":[6,15,52],"of":[7,9,53],"pairs":[8],"molecules":[10],"in":[11,56,64],"liquids.":[12],"In":[13],"regime,":[16],"is":[19,47],"described":[20],"with":[21],"three-dimensional":[22],"Smoluchowski":[23,42],"equation.":[24,43],"We":[25],"propose":[26],"a":[27],"scheme":[28,46],"to":[29,50],"numerically":[30],"calculate":[31],"between":[34],"polyatomic":[35],"and":[36,59],"monoatomic":[37],"species":[38],"based":[39],"on":[40],"The":[44],"present":[45],"successfully":[48],"applied":[49],"Ar-Ar":[54],"liquid":[57],"Ar":[58],"ethylene":[60],"carbonate":[61],"(EC)-Li<sup>+</sup>":[62],"1":[65],"M":[66],"LiPF<sub>6</sub>":[67],"/EC":[68],"electrolyte":[69],"solution.":[70],"\u00a9":[71],"2018":[72],"Wiley":[73],"Periodicals,":[74],"Inc.":[75]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
