J4 ›› 2015, Vol. 21 ›› Issue (4): 594-.
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XUE Rong,DENG Qian,LU Xiancai*,ZHANG Lihu,ZHANG Yingchun
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Abstract:
:Claymineralsarewidelydistributedinsoilsandsedimentaryrocks.Thesurfacewettabilityofclaymineraliscloselyrelated toprimarypetroleummigrationinargillaceoussourcerocks,andmobilityoforganicpollutantinsoils.Aimingatinvestigatingthe influencesofsurfacewettabilityofclaymineralsontheprimarymigrationofhydrocarbon,thisstudyconstructsslitporeswithwallsof kaoliniteandillitebasalsurface.Thespatialdistributionofwaterandorganicmattersintheporesystemshasbeenrevealedusing moleculardynamicssimulations.Thedifferenceinwettabilityofclaymineralinpurewaterandinsalinewaterhasbeendisclosed. Differentbehaviorsofhydrocarbon,alcohol,andbenzenehavealsobeenrevealed.Itisindicatedthatthebasalsurfaceofillitealways presentshydrophilicaswellsiloxanesurfaceofkaoliniteishydrophobicandhydroxylsurfacehydrophilic.ThepresenceofNaClalters hydrophobicsiloxanesurfaceintototallyhydrophilic.Inaddition,theorganicmatterwithpolargroupstendstobeadsorbedonto hydrophilicclaysurfacealthoughthesemoleculesaggregatetogetherintheporewater,whichleadstotheirdifferentdistribution.
Key words: wettability;moleculardynamicssimulation;claymineral;slitpore
XUE Rong,DENG Qian,LU Xiancai*,ZHANG Lihu,ZHANG Yingchun . MolecularDynamicsSimulationoftheWettability ofKaoliniteAndIllite[J]. J4, 2015, 21(4): 594-.
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URL: https://geology.nju.edu.cn/EN/
https://geology.nju.edu.cn/EN/Y2015/V21/I4/594