{"id":"https://openalex.org/W7225628116","doi":"https://doi.org/10.1021/acs.langmuir.6c04813","title":"Self-Assembly and Hydration-Dependent Structure and Dynamics of AOTSiC Reverse Micelles in Supercritical Carbon Dioxide","display_name":"Self-Assembly and Hydration-Dependent Structure and Dynamics of AOTSiC Reverse Micelles in Supercritical Carbon Dioxide","publication_year":2026,"publication_date":"2026-11-09","ids":{"openalex":"https://openalex.org/W7225628116","doi":"https://doi.org/10.1021/acs.langmuir.6c04813"},"language":"en","primary_location":{"id":"doi:10.1021/acs.langmuir.6c04813","doi":"https://doi.org/10.1021/acs.langmuir.6c04813","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.langmuir.6c04813","pdf_url":null,"source":{"id":"https://openalex.org/S75741262","display_name":"Langmuir","issn_l":"0743-7463","issn":["0743-7463","1520-5827"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","doyens","jufo-2","ki-jl-1","medline","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":"Langmuir","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/A5039824374","display_name":"Costas Hristos Vlahos","orcid":"https://orcid.org/0000-0003-2000-2110","observed_orcids":["https://orcid.org/0000-0003-2000-2110"]},"institutions":[{"id":"https://openalex.org/I194019607","display_name":"University of Ioannina","ror":"https://ror.org/01qg3j183","country_code":"GR","type":"education","lineage":["https://openalex.org/I194019607"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Costas Vlahos","raw_affiliation_strings":["University of Ioannina , , ,"],"raw_orcid":"https://orcid.org/0000-0003-2000-2110","affiliations":[{"raw_affiliation_string":"University of Ioannina , , ,","institution_ids":["https://openalex.org/I194019607"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031753576","display_name":"Ioannis Skarmoutsos","orcid":"https://orcid.org/0000-0002-2908-9155","observed_orcids":["https://orcid.org/0000-0002-2908-9155"]},"institutions":[{"id":"https://openalex.org/I194019607","display_name":"University of Ioannina","ror":"https://ror.org/01qg3j183","country_code":"GR","type":"education","lineage":["https://openalex.org/I194019607"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Ioannis Skarmoutsos","raw_affiliation_strings":["University of Ioannina , , ,"],"raw_orcid":"https://orcid.org/0000-0002-2908-9155","affiliations":[{"raw_affiliation_string":"University of Ioannina , , ,","institution_ids":["https://openalex.org/I194019607"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027834880","display_name":"\u0391\u03c0\u03cc\u03c3\u03c4\u03bf\u03bb\u03bf\u03c2 \u0393\u03ba\u03ac\u03bc\u03b1\u03c2","orcid":"https://orcid.org/0000-0003-0966-5140","observed_orcids":["https://orcid.org/0000-0003-0966-5140"]},"institutions":[{"id":"https://openalex.org/I194019607","display_name":"University of Ioannina","ror":"https://ror.org/01qg3j183","country_code":"GR","type":"education","lineage":["https://openalex.org/I194019607"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Apostolos Gkamas","raw_affiliation_strings":["University of Ioannina , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Ioannina , , ,","institution_ids":["https://openalex.org/I194019607"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I194019607"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10721","display_name":"Surfactants and Colloidal Systems","score":0.9345999956130981,"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/T10721","display_name":"Surfactants and Colloidal Systems","score":0.9345999956130981,"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/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.050200000405311584,"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/T10480","display_name":"Ionic liquids properties and applications","score":0.001500000013038516,"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/reverse-micelles","display_name":"reverse micelles","score":0.9070000052452087},{"id":"https://openalex.org/keywords/supercritical-carbon-dioxide","display_name":"supercritical carbon dioxide","score":0.859000027179718},{"id":"https://openalex.org/keywords/hydration","display_name":"hydration","score":0.5070000290870667},{"id":"https://openalex.org/keywords/self-assembly","display_name":"self-assembly","score":0.8389999866485596},{"id":"https://openalex.org/keywords/water-confinement","display_name":"water confinement","score":0.5529999732971191},{"id":"https://openalex.org/keywords/hydrogen-bond-network","display_name":"hydrogen bond network","score":0.8679999709129333},{"id":"https://openalex.org/keywords/sodium-ion-dynamics","display_name":"sodium ion dynamics","score":0.6449999809265137},{"id":"https://openalex.org/keywords/coacervation","display_name":"coacervation","score":0.7919999957084656},{"id":"https://openalex.org/keywords/force-field-development","display_name":"force field development","score":0.753000020980835},{"id":"https://openalex.org/keywords/opls-aa-force-field","display_name":"OPLS-AA force field","score":0.8259999752044678},{"id":"https://openalex.org/keywords/aggregation-number","display_name":"aggregation number","score":0.5720000267028809}],"concepts":[{"id":"https://openalex.org/C11268172","wikidata":"https://www.wikidata.org/wiki/Q421110","display_name":"Micelle","level":3,"score":0.875},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.650600016117096},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.6298999786376953},{"id":"https://openalex.org/C118419359","wikidata":"https://www.wikidata.org/wiki/Q682585","display_name":"Supercritical fluid","level":2,"score":0.6198999881744385},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6140000224113464},{"id":"https://openalex.org/C134458231","wikidata":"https://www.wikidata.org/wiki/Q332582","display_name":"Supercritical carbon dioxide","level":3,"score":0.557200014591217},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.5264999866485596},{"id":"https://openalex.org/C34814092","wikidata":"https://www.wikidata.org/wiki/Q2268418","display_name":"Counterion","level":3,"score":0.4528999924659729},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.4487000107765198},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.397599995136261},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.37049999833106995},{"id":"https://openalex.org/C2777361361","wikidata":"https://www.wikidata.org/wiki/Q1112585","display_name":"Polarity (international relations)","level":3,"score":0.3560999929904938},{"id":"https://openalex.org/C4863142","wikidata":"https://www.wikidata.org/wiki/Q907920","display_name":"Solubilization","level":2,"score":0.34200000762939453},{"id":"https://openalex.org/C134121241","wikidata":"https://www.wikidata.org/wiki/Q899301","display_name":"Yield (engineering)","level":2,"score":0.3418000042438507},{"id":"https://openalex.org/C29705727","wikidata":"https://www.wikidata.org/wiki/Q294562","display_name":"Polar","level":2,"score":0.3296999931335449},{"id":"https://openalex.org/C167092891","wikidata":"https://www.wikidata.org/wiki/Q4692261","display_name":"Aggregation number","level":5,"score":0.3294000029563904},{"id":"https://openalex.org/C530467964","wikidata":"https://www.wikidata.org/wiki/Q1997","display_name":"Carbon dioxide","level":2,"score":0.29840001463890076},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.287200003862381},{"id":"https://openalex.org/C2779716929","wikidata":"https://www.wikidata.org/wiki/Q6827980","display_name":"Micellar solutions","level":4,"score":0.2793000042438507},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.25839999318122864},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.2565999925136566},{"id":"https://openalex.org/C61978335","wikidata":"https://www.wikidata.org/wiki/Q506623","display_name":"Chemical polarity","level":3,"score":0.25099998712539673}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.langmuir.6c04813","doi":"https://doi.org/10.1021/acs.langmuir.6c04813","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.langmuir.6c04813","pdf_url":null,"source":{"id":"https://openalex.org/S75741262","display_name":"Langmuir","issn_l":"0743-7463","issn":["0743-7463","1520-5827"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","doyens","jufo-2","ki-jl-1","medline","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":"Langmuir","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":64,"referenced_works":["https://openalex.org/W1537479324","https://openalex.org/W1958729574","https://openalex.org/W1966108258","https://openalex.org/W1978831514","https://openalex.org/W1987547266","https://openalex.org/W1989352886","https://openalex.org/W1993077801","https://openalex.org/W2000456051","https://openalex.org/W2004520885","https://openalex.org/W2004809711","https://openalex.org/W2005414702","https://openalex.org/W2013561815","https://openalex.org/W2035008003","https://openalex.org/W2040371272","https://openalex.org/W2049607027","https://openalex.org/W2051236124","https://openalex.org/W2051381895","https://openalex.org/W2053557914","https://openalex.org/W2057500869","https://openalex.org/W2061415491","https://openalex.org/W2062429214","https://openalex.org/W2062665607","https://openalex.org/W2064147683","https://openalex.org/W2067650133","https://openalex.org/W2074409765","https://openalex.org/W2077675934","https://openalex.org/W2081302797","https://openalex.org/W2083111473","https://openalex.org/W2092445839","https://openalex.org/W2099453482","https://openalex.org/W2109671158","https://openalex.org/W2124615219","https://openalex.org/W2132022337","https://openalex.org/W2137429251","https://openalex.org/W2143213238","https://openalex.org/W2148941593","https://openalex.org/W2150697053","https://openalex.org/W2151334055","https://openalex.org/W2156318157","https://openalex.org/W2313379369","https://openalex.org/W2319474510","https://openalex.org/W2326063675","https://openalex.org/W2414770363","https://openalex.org/W2524029046","https://openalex.org/W2737405706","https://openalex.org/W2763690325","https://openalex.org/W2775043434","https://openalex.org/W2900391387","https://openalex.org/W3003019230","https://openalex.org/W3003257820","https://openalex.org/W3035224430","https://openalex.org/W3106706517","https://openalex.org/W3128036717","https://openalex.org/W3183471034","https://openalex.org/W3201073812","https://openalex.org/W4319299282","https://openalex.org/W4384131284","https://openalex.org/W4386628057","https://openalex.org/W4394878863","https://openalex.org/W4402747434","https://openalex.org/W4406472020","https://openalex.org/W4411275023","https://openalex.org/W4412824005","https://openalex.org/W7127628334"],"related_works":["https://openalex.org/W4385614748","https://openalex.org/W759927496","https://openalex.org/W2035008003","https://openalex.org/W1966654356","https://openalex.org/W4385469404","https://openalex.org/W2063572107","https://openalex.org/W126013796","https://openalex.org/W2524029046","https://openalex.org/W4396831506","https://openalex.org/W2062665607"],"abstract_inverted_index":{"Abstract":[0],"Supercritical":[1],"carbon":[2],"dioxide":[3],"(scCO2)":[4],"is":[5],"an":[6],"attractive":[7],"green":[8],"solvent,":[9],"but":[10],"its":[11],"low":[12,132],"polarity":[13],"limits":[14],"the":[15,23,93,111,126,152],"solubilization":[16],"of":[17,25,28,122,151,207],"polar":[18],"and":[19,83,180,204,218],"ionic":[20],"compounds,":[21],"motivating":[22],"development":[24],"surfactants":[26],"capable":[27],"forming":[29],"reverse":[30,33,115,223],"micelles.":[31],"Here,":[32],"micelles":[34,116,138,224],"formed":[35],"by":[36,173],"silicon-modified":[37],"aerosol":[38],"OT":[39],"(AOTSiC)":[40],"with":[41,67,80,117,125,159],"sodium":[42],"counterions":[43],"in":[44,221,225],"scCO2":[45],"are":[46,192],"investigated":[47],"over":[48],"a":[49,57,74,102,118,156,163,168],"wide":[50],"hydration":[51,109,133,142],"range,":[52],"W0":[53,96,147],"=":[54,97,135,148],"1.7\u201320.0,":[55],"using":[56],"multiscale":[58],"computational":[59],"approach.":[60],"Density":[61],"functional":[62],"theory":[63],"calculations":[64],"were":[65],"combined":[66],"classical":[68],"molecular":[69,181],"dynamics":[70,179],"simulations":[71,112],"to":[72,144,167],"develop":[73],"modified":[75],"all-atom":[76],"OPLS-AA":[77],"force":[78],"field":[79],"scaled":[81],"charges":[82],"adjusted":[84],"Lennard\u2013Jones":[85],"parameters.":[86],"The":[87],"experimentally":[88],"reported":[89],"aggregation":[90,120,128],"behavior":[91],"at":[92,146],"reference":[94],"hydration,":[95,161],"5.0,":[98],"was":[99],"used":[100],"as":[101],"target":[103],"during":[104],"force-field":[105],"development.":[106],"At":[107,131],"this":[108],"level,":[110],"yield":[113],"stable":[114],"mean":[119],"number":[121,129],"6,":[123],"consistent":[124],"experimental":[127],"distribution.":[130],"(W0":[134],"1.7),":[136],"discrete":[137],"persist,":[139],"whereas":[140,188],"increasing":[141,174],"leads":[143],"coacervation":[145],"13.3.":[149],"Analysis":[150],"confined":[153],"water":[154,219],"reveals":[155],"progressive":[157],"transition,":[158],"decreasing":[160],"from":[162],"connected":[164],"hydrogen-bond":[165,178,190],"network":[166],"fragmented,":[169],"ion-dominated":[170],"structure":[171],"characterized":[172],"local":[175],"heterogeneity.":[176],"Intermittent":[177],"reorientation":[182],"slow":[183],"progressively":[184],"under":[185],"stronger":[186],"confinement,":[187],"continuous":[189],"lifetimes":[191],"only":[193],"weakly":[194],"affected.":[195],"Spectral":[196],"densities":[197],"further":[198],"indicate":[199],"reduced":[200],"cooperative":[201],"intermolecular":[202],"motions":[203],"increased":[205],"localization":[206],"sodium-ion":[208],"dynamics.":[209],"These":[210],"results":[211],"provide":[212],"molecular-level":[213],"insight":[214],"into":[215],"hydration-controlled":[216],"self-assembly":[217],"confinement":[220],"AOTSiC":[222],"scCO2.":[226]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}