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1、EnergyFuels2010,24,5955–5964:DOI:10.1021/ef100769xPublishedonWeb10/15/2010DeformationofCoalInducedbyMethaneAdsorptionatGeologicalConditions,,,KanYang,XiancaiLu,*YangzhengLin,andAlexanderV.Neimark*StateKeyLabforMineralDepositResearch,SchoolofEarthSciencesandEn
2、gineering,NanjingUniversity,22HankouRoad,Nanjing210093,People’sRepublicofChina,andChemicalandBiochemicalEngineering,RutgersUniversity,98BrettRoad,Piscataway,NewJersey08854,UnitedStatesReceivedJune18,2010.RevisedManuscriptReceivedSeptember25,2010Thequenchedsol
3、iddensityfunctionaltheory(QSDFT)isemployedtostudymethaneadsorptiononcoalatgeologicalconditions.Themainfocusismadeoncoaldeformationinthecourseofadsorptionthatmayresultineitherexpansion/swellingorcontraction,dependinguponthepressure,temperature,andporesize.Twoq
4、ualitativelydifferenttypesofdeformationbehaviorwerefounddependingupontheporewidth.TypeIshowsamonotonicexpansioninthewholepressurerange.Thisbehaviorischaracteristicforthesmallestpores<1.3σff(0.5nm)thatcannotaccommodatemorethanonelayerofmethane.TypeIIdisplaysco
5、ntractionatlowpressuresfollowedbyexpansion.TypeIIbehaviorwasfoundforseveralgroupsofpores,whichcanaccommodatedensepackingwithanintegernumber(from2to6)ofadsorbedlayers.TheresultsoftheQSDFTmodelarecomparedtoliteratureexperimentaldata,andthemodelisemployedtostudy
6、theadsorptionbehaviorofmodelcoalsatelevatedpressuresandtemperatures.Weestablishedtherelationshipsbetweenthemethanecapacityandthesolvationpressurethatitexertsonthecoalmatrixandthedepthofcoalbedforporesofdifferentsizes.Wefoundthatthecoaldeformationdependsuponth
7、ebeddepth,andatdifferentdepths,iteitherswellsorcontractsdependingupontheporesizedistribution.Theimplicationsofthesefindingsforevaluatingcoalgasresourcesandcoalminerecoveryarediscussed.1.Introductioninvestigateddependinguponvariousfactors,includingpressure,tem
8、perature,porestructure,surfaceproperties,coaltypes,coalAdsorptionofmethaneoncoalplaysacrucialroleinaranks,moisturecontent,mineralmatter(ashcontent),andvarietyofnaturalandtechnologicalproc
