{"id":"https://openalex.org/W2008409367","doi":"https://doi.org/10.1021/ef0201275","title":"Molecular Dynamics Simulation of the Heat-Induced Relaxation of Asphaltene Aggregates","display_name":"Molecular Dynamics Simulation of the Heat-Induced Relaxation of Asphaltene Aggregates","publication_year":2002,"publication_date":"2002-12-05","ids":{"openalex":"https://openalex.org/W2008409367","doi":"https://doi.org/10.1021/ef0201275","mag":"2008409367"},"language":"en","primary_location":{"id":"doi:10.1021/ef0201275","doi":"https://doi.org/10.1021/ef0201275","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ef0201275","pdf_url":null,"source":{"id":"https://openalex.org/S186935893","display_name":"Energy & Fuels","issn_l":"0887-0624","issn":["0887-0624","1520-5029"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","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":"Energy &amp; Fuels","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5053849530","display_name":"Toshimasa Takanohashi","orcid":"https://orcid.org/0000-0002-8741-3937","observed_orcids":["https://orcid.org/0000-0002-8741-3937"]},"institutions":[{"id":"https://openalex.org/I4210087728","display_name":"Idemitsu Kosan (Japan)","ror":"https://ror.org/002v59719","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087728"]},{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Toshimasa Takanohashi","raw_affiliation_strings":["Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan","institution_ids":["https://openalex.org/I4210087728","https://openalex.org/I73613424"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007558790","display_name":"Shinya Sato","orcid":"https://orcid.org/0000-0001-6649-6975","observed_orcids":["https://orcid.org/0000-0001-6649-6975"]},"institutions":[{"id":"https://openalex.org/I4210087728","display_name":"Idemitsu Kosan (Japan)","ror":"https://ror.org/002v59719","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087728"]},{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shinya Sato","raw_affiliation_strings":["Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan","institution_ids":["https://openalex.org/I4210087728","https://openalex.org/I73613424"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110031672","display_name":"Ikuo Saito","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210087728","display_name":"Idemitsu Kosan (Japan)","ror":"https://ror.org/002v59719","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087728"]},{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Ikuo Saito","raw_affiliation_strings":["Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan","institution_ids":["https://openalex.org/I4210087728","https://openalex.org/I73613424"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5014466107","display_name":"Ryuzo Tanaka","orcid":"https://orcid.org/0000-0002-3259-2181","observed_orcids":["https://orcid.org/0000-0002-3259-2181"]},"institutions":[{"id":"https://openalex.org/I4210087728","display_name":"Idemitsu Kosan (Japan)","ror":"https://ror.org/002v59719","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210087728"]},{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Ryuzo Tanaka","raw_affiliation_strings":["Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Energy Utilization, National Institute of Advanced Industrial Science and Technology (AIST), 16-1, Onogawa, Tsukuba 3058569, Japan, and Central Research Laboratories, Idemitsu Kosan Co., Ltd., Kamiizumi 1280, Sodegaura 2990293, Japan","institution_ids":["https://openalex.org/I4210087728","https://openalex.org/I73613424"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5053849530"],"corresponding_institution_ids":["https://openalex.org/I4210087728","https://openalex.org/I73613424"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.7148,"has_fulltext":false,"cited_by_count":108,"citation_normalized_percentile":{"value":0.79263398,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"17","issue":"1","first_page":"135","last_page":"139"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11630","display_name":"Petroleum Processing and Analysis","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T11630","display_name":"Petroleum Processing and Analysis","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T10264","display_name":"Asphalt Pavement Performance Evaluation","score":0.0010000000474974513,"subfield":{"id":"https://openalex.org/subfields/2205","display_name":"Civil and Structural Engineering"},"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/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.0,"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/asphaltene-aggregates","display_name":"asphaltene aggregates","score":0.8199999928474426},{"id":"https://openalex.org/keywords/hydrogen-bond-dissociation","display_name":"hydrogen bond dissociation","score":0.6949999928474426},{"id":"https://openalex.org/keywords/pi-pi-stacking","display_name":"\u03c0-\u03c0 stacking","score":0.800000011920929},{"id":"https://openalex.org/keywords/noncovalent-interactions","display_name":"non-covalent interactions","score":0.8119999766349792},{"id":"https://openalex.org/keywords/aliphatic-side-chains","display_name":"aliphatic side chains","score":0.8550000190734863},{"id":"https://openalex.org/keywords/polar-groups","display_name":"polar groups","score":0.9810000061988831},{"id":"https://openalex.org/keywords/van-der-waals-forces","display_name":"van der Waals interactions","score":0.9089999794960022},{"id":"https://openalex.org/keywords/vacuum-residue","display_name":"vacuum residue","score":0.7450000047683716},{"id":"https://openalex.org/keywords/soil-aggregate-stability","display_name":"soil aggregate stability","score":0.5649999976158142},{"id":"https://openalex.org/keywords/thermal-decomposition","display_name":"thermal decomposition","score":0.5370000004768372}],"concepts":[{"id":"https://openalex.org/C65324659","wikidata":"https://www.wikidata.org/wiki/Q255712","display_name":"Asphaltene","level":2,"score":0.8951103687286377},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7900031805038452},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.558854877948761},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5321131348609924},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.45883339643478394},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4329535961151123},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4088457524776459},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40585941076278687},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.19947579503059387},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1656365692615509},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1288418471813202},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ef0201275","doi":"https://doi.org/10.1021/ef0201275","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ef0201275","pdf_url":null,"source":{"id":"https://openalex.org/S186935893","display_name":"Energy & Fuels","issn_l":"0887-0624","issn":["0887-0624","1520-5029"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-100","russia-white-list-1","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":"Energy &amp; Fuels","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1973497544","https://openalex.org/W1974550227","https://openalex.org/W1977190153","https://openalex.org/W1979585768","https://openalex.org/W1981597090","https://openalex.org/W1981731820","https://openalex.org/W1987881892","https://openalex.org/W1990890834","https://openalex.org/W1996868266","https://openalex.org/W1997688693","https://openalex.org/W2000234636","https://openalex.org/W2004242857","https://openalex.org/W2009425224","https://openalex.org/W2015127702","https://openalex.org/W2021441209","https://openalex.org/W2038823566","https://openalex.org/W2046188512","https://openalex.org/W2051635410","https://openalex.org/W2053718838","https://openalex.org/W2054422653","https://openalex.org/W2062707592","https://openalex.org/W2063870268","https://openalex.org/W2063873187","https://openalex.org/W2077391942","https://openalex.org/W2078560399","https://openalex.org/W2085822586","https://openalex.org/W2090016974","https://openalex.org/W2095468853","https://openalex.org/W2096511939","https://openalex.org/W2170006871","https://openalex.org/W2316972234"],"related_works":["https://openalex.org/W2031371144","https://openalex.org/W4409527518","https://openalex.org/W1983013815","https://openalex.org/W582498354","https://openalex.org/W2363274521","https://openalex.org/W7133618266","https://openalex.org/W4285093566","https://openalex.org/W2772001410","https://openalex.org/W7010589337","https://openalex.org/W1974550227"],"abstract_inverted_index":{"The":[0,46],"energy-minimum":[1],"conformation":[2],"calculated":[3],"by":[4,38,148],"molecular":[5,43],"mechanics\u2212molecular":[6],"dynamics":[7,44],"simulation":[8,47],"for":[9,170],"the":[10,14,30,50,107,117,132,143,150,171,185],"asphaltene":[11,54,120,186],"obtained":[12],"from":[13],"vacuum":[15],"residue":[16],"of":[17,109,119,134,138],"Khafji":[18],"crude":[19],"oils":[20],"showed":[21,48],"that":[22,49],"structures":[23,37,140],"aggregated":[24,36],"through":[25],"several":[26],"noncovalent":[27],"interactions":[28,63,74,177],"are":[29],"most":[31],"stable.":[32,67],"Changes":[33],"induced":[34],"in":[35,136,141],"heating":[39],"were":[40,102],"investigated":[41],"using":[42],"calculations.":[45],"hydrogen":[51],"bond":[52],"between":[53,178],"molecules":[55],"dissociated":[56],"at":[57,84,162,165],"523":[58],"K,":[59,70],"while":[60],"aromatic\u2212aromatic":[61],"stacking":[62,73],"appeared":[64],"to":[65,95,105,131,166,183],"be":[66,76,93],"At":[68],"673":[69],"however,":[71],"some":[72,79,89],"could":[75],"disrupted,":[77],"but":[78],"stable":[80],"aggregates":[81,121],"remained":[82],"even":[83],"this":[85],"high":[86],"temperature":[87],"where":[88],"decomposition":[90],"reactions":[91],"would":[92],"expected":[94],"occur.":[96],"Simulations":[97],"on":[98,116],"two":[99],"model":[100],"compounds":[101],"carried":[103],"out":[104],"investigate":[106],"effects":[108],"aliphatic":[110,151,179],"chains":[111,125,153,180],"and":[112,126,154],"polar":[113,127],"functional":[114,128],"groups":[115,129],"stability":[118,133],"during":[122],"heating.":[123],"Aliphatic":[124],"contributed":[130],"aggregates;":[135],"simulations":[137],"\u201cimaginary\u201d":[139],"which":[142],"original":[144,172],"structure":[145],"was":[146],"modified":[147],"removing":[149],"side":[152],"then":[155],"replacing":[156],"heteroatoms":[157],"with":[158],"carbon,":[159],"dissociation":[160],"occurred":[161],"lower":[163],"temperatures":[164],"greater":[167],"extents":[168],"than":[169],"structure;":[173],"van":[174],"der":[175],"Waals":[176],"acted":[181],"cooperatively":[182],"stabilize":[184],"aggregates.":[187]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":11},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":1}],"updated_date":"2026-09-29T14:09:16.559479","created_date":"2016-06-24T00:00:00"}
