学科分类
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172 个结果
  • 简介:Inthispaper,thedensityfunctionaltheoryhasbeenusedtoperformacomparativetheoreticalstudyofwatermonomer,dimer,trimer,andbilayeradsorptionsontheBe(0001)surface.Inourcalculations,theadsorbedwatermoleculesareenergeticallyfavouredadsorbedontheatopsites,andthedimeradsorptionisfoundtobethemoststablewithapeakadsorptionenergyof~437meV.Furtheranalyseshaverevealedthattheessentialbondinginteractionbetweenthewatermonomerandthemetalsubstrateisthehybridizationofthewater3a1-likemolecularorbitalwiththe(s,pz)orbitalsofthesurfaceberylliumatoms.Whileinthecaseofthewaterdimeradsorption,the1b1-likeorbitaloftheH2Omoleculeplaysadominantrole.

  • 标签: 水吸附 三聚体 体表面 密度泛函理论 氢键相互作用 二聚体
  • 简介:Theadsorptionofproteinonnanoparticleswasstudiedbyusingdynamiclightscatteringtomeasurethehydrodynamicsizeofbothpureproteinandnanoparticlesadsorbedwithdifferentamountsofprotein.Thethicknessoftheadsorbedproteinlayerincreasesasproteinconcentration,butdecreasesastheinitialsizeofnanoparticles.Afterproperlyscalingthethicknesswiththeinitialdiameter,weareabletofitallexperimentaldatawithasinglemastercurve.Ourexperimentalresultssuggestthattheadsorbedproteinsformamonolayeronthenanoparticlesurfaceandtheadsorbedproteinmoleculesareattachedtotheparticlesurfaceatmanypointsthroughapossiblehydrogen-bonding.Ourresultsalsoindicatethatasproteinconcentrationincreases,theoverallshapeoftheadsorbedproteinmoleculecontinuouslychangesfromaflatlayerontheparticlesurfacetoastretchedcoilextendedintowater.Duringthechange,thehydrodynamicvolumeoftheadsorbedproteinincreaseslinearlywithproteinconcentration.

  • 标签: ADSORPTION Dynamic light scattering HYDRODYNAMIC RADIUS
  • 简介:Theadsorptionofxenonfromairhasaninterestinthemonitoringofnuclearexplosionoraccident,orinthetreatmentofnuclearwastegas.Inthispaper,theporestructureofseveralseriesofactivatedcarbonfibershasbeencharacterized.Theadsorptionpropertiesofxenonontheseactivatedcarbonfibersunderdifferenttemperatureshavebeenstudiedindetails.Theresultsshowthatthexenonadsorptionamountonactivatedcarbonfibersdonotincreasewithspecificsurfaceareaofadsorbents,butarecloselyrelatedtotheirporesizedistribution.Poreswhoseradiusequaltoornarrowthan0.4nmwouldbemoreadvantageoustotheadsorptionofxenon.

  • 标签: 制备 活性炭纤维 核工业 废气处理 吸附
  • 简介:Inthispaper,theselectiveadsorptionofLDLonchitosanmodifiedwithPEGandAsp.wasstudied.TheadsorptionrateofLDLandHDLonthedoublemodifiedchitosanwas57%and12%respoectively,TheresultsshownthatthedoublemodifiedchitosancanbeusedaadsorbentforselectivebindingtoLDL,thisworkmayhelptodevelopfunctionalcolumnsforhemoperfusion.

  • 标签: 吸附剂 聚氨葡糖 低密度脂蛋白
  • 简介:StructuresofaseriesofactivatedcarbonfibersweremodifiedbyimpregnatingthemwithorganicandinorganicmaterialssuchasMethyleneblue(Mb)、p-nitrophenol(PNP)、NaClorbyoxidizingwithKMnO4orHNO3.Theinfluenceofporefillingorchemicaltreatmentontheirxenonadsorptionpropertieswasstudied.TheexperimentalresultsshowthatMbandPNPfillingofactivatedcarbonfibersresultinthedecreaseofxenonadsorptioncapacitiesofthesetreatedACFs,whichisduetothedecreaseoftheirsurfaceareaandmicro-porevolume.However,theadsorptioncapacityincreasesgreatlywithoxidizingtreatmentofactivatedcarbonfibersby7mol/LHNO3.

  • 标签: 制备 活性炭纤维 吸附性能 化学处理 核工业
  • 简介:吸附是为环境补习的最广泛地应用的技术之一。它的动力学意义大评估给定的吸附物和获得卓见的表演进内在的机制。有有关吸附动力学可得到的大量参考书,并且几个数学模型被开发了描述吸附反应和散开过程。然而,这些模特儿经常被雇用适合运动数据在一不合适或不适当举止。这主要是因为到可观的程度,联系模型的边界条件为数据建模被忽略。这里,我们考察了几使用得广泛地的吸附运动模型并且对他们的边界条件给予了更多的注意。我们相信评论为吸附某些意义和改进是运动建模。

  • 标签: 吸附动力学模型 审查 边界条件 动力学数据 环境整治 考核评价
  • 简介:Investigationoftheadsorptioncharacteristicsoftolueneontwohypercrosslinkedresins.Thestaticandthekineticadsorptionwerestudied.Theequilibriumadsorptiondatewasfittedtofreundlichadsorptionisothermmodelstoevaluatethemodelparameters.Theenthalpy,freeenergy,entropyareindicativeofanexothermic,aspontaneousanddisorterdecreasingprocess.ExperimentalresultsshowthatthetwoadsorbentsarebetterthantheAmberliteXAD-4forremovingthetolueneinaqueoussolutions.

  • 标签: 吸附行为 甲苯 超交联树脂 离子交换树脂 环境友好
  • 简介:Bothinorganicandorganicpillaredmontmorilloniteswereusedtoadsorbphenol.BatchkineticsandisothermstudieswerecarriedouttoevaluatetheeffectofequilibriumtimeandpHonadsorptionofphenolbymontmorillouitesandre-adsorbingcharacteristicsofpillaredmontmorillonites.TheadsorptionofphenolincreasedwithincreasingsolutionpHvalues.Theeliminationratioofphenolfromthesolutionbytheabsorptionoforganicmodifiedpillaredmontmorillonite(OrPMt)reachedequilibriumquicklyaftervibratingfor5minutes.Meanwhilefororganicmontmorillonite(OrMt),pillaredmontmorillouite(PMt)andmontmorillonite(Mt),thetimetoreachphenol-absorptionequilibriumwere20,30and90minutes,respectively.Theadsorbingcapacityofthepillaredmontmorillonitemodifiedwithsurfactantimprovedgreatly.Thephenol-adsorbingcapacityofpillaredmontmorillonitesmainlydependedonmicroporousstructureandsurfacecomponentofthemodifiedclays.Aftercalcinationat500℃,thepillarstructureandthebasalspacing(1.83nm)werestillstable.Sothepillaredmontmorillonitecouldberecycled,anditwasapotentialmaterialforadsorbingenvironmentalpollutants.

  • 标签: 吸收 苯酚柱状 蒙脱石 有机物 无机物 环境污染
  • 简介:Theadsorptionbehaviorofdyesonavarietyofsisalbasedactivatedcarbonfibers(SACF)hasbeenstudiedinthispaper.TheresultsshowthatthiskindofACFhasexcellentadsorptioncapacitiesforsomeorganic(dye)molecules.SACFcanremovenearlyallmethyleneblue,crystalviolet,bromophenolblueandEriochromeblueblackRfromwaterafterstaticadsorptionfor24h.at30℃.Theadsorptionamountscanreachmorethan400mg/gwhenadding50mgSACFinto50mldyesolution.Underthesameconditions,theadsorptionamountsofxylenolorangefluoresceinandEriochromeblackTwreelower.Ontheotherhand,theadsorptionamountschangealongwiththecharacteristicsofadsorbents.TheSACFsactivatedabove840℃,whichhavehigherspecificsurfaceareasandwiderporeradii,havehigheradsorptionamountsforthedyes.TheresearchingresultsalsoshowthattheadsorptionratesofdyesontoSACFsdecreasebytheorderofmethyleneblue,EriochromeblueblackRandcrystalviolet.

  • 标签: 染料吸附作用 废水处理 活性碳纤维
  • 简介:TheapplicationofXzeoliteintheareasforproducingpara-xylenebyadsorptiveseparation,N2/O2separation,etc.,wasreviewed,andtheframeworkSiO2/Al2O3molarratio,thecationsandthewatercontentofXzeolitesignificantlyaffecteditsselectivityandcapacity.Astheactivecomponentofpara-xyleneadsorbent,theXzeolitewithaframeworkSiO2/Al2O3molarratioof2.2-2.4coupledwithcationsofBa^2+andK^+,aswellasawatercontentof4.0%-5.0%exhibitedhigherpara-xyleneselectivity.ForN2/O2separation,higherN2capacityandN2/O2separationfactorwereachievedwhentheXzeolitehadaframeworkSiO2/Al2O3molarratioof2.0coupledwithLi^+cations.TheintroductionofanothercationinXzeolitecouldfurtherincreasetheN2/O2separationfactor,whiletheadsorptionofwater,however,couldleadtoaremarkabledecreaseofN2capacity.Besides,theXzeolitecouldbeusedinadsorptiveseparationofhighlypureHeandselectiveadsorptionofCO2,CO,CH4,N2,Ar,andH2.

  • 标签: FAU PARA-XYLENE air SEPARATION SELECTIVITY
  • 简介:Severalmacroporouspolymericadsorbents(NDA-999,XAD-8,X-5andXAD-2)wereemployedinthestudytoadsorbphenylaceticacidfromaqueoussolution.EffectofsaltandambienttemperatureonadsorptionwasstudiedusingNDA-999adsorbentandtheadsorptionprocessconformstoFreundlich'smodelreasonably.Adsorptiondynamicswereconductedinbatchexperimentsinordertomakeclearthemechanismofadsorptionprocess.Itisprovedthatthesquareddrivingforcemasstransfermodelcanbeadoptedtoelucidatetheprocess.Thetreatmentprocessofindustrialwastewatercontaininghighstrengthofphenylaceticacidwasproposedforcleanerproductionofphenylaceticacid.

  • 标签: 吸附作用 苯乙酸 苯醋酸 大孔聚合吸附剂 废水处理
  • 简介:Theadsorptionofphenolandnitrophenolsonhypercrosslinkedpolymericadsorbentwasstudiedasafunctionofthesolutionconcentrationandtemperature.Adsorptionisothermsofphenolandnitrophenolsonhypercrosslinkedresinweredetermined.TheseisothermsweremodeledaccordingtotheFreundlichadsorptionisotherm.TheisothermsforphenolandnitrophenolsonhypercrosslinkedresinwereassignedasLcurves.Thermodynamicparameterswerecalculatedforallphenolandnitrophenols.Thekineticsexperimentresultsshowedthattheadsorptionrateswereofthefirst-orderkinetics.Therateconstantsat303Kwerecalculated.

  • 标签: 弗罗因德利奇 吸附等温线 吸附动力学 苯酚 硝基苯酚 吸附速率
  • 简介:Inthispaper,benzeneadsorptionisothermandtheirhysteresisontwoimportantlocaldiatomitesweredeterminedat25℃,andtheirsiliconhydroxylgroup(SiOH)numberwasdetermined,theirpropertieswerereported,andtherelationshipbetweensurfacestructure,surfaceSiOHnumberpernm2andadsorptionisothermwithhysteresiswasdiscussed.Thespecificsurfacewasalsocalculatedfromtheisotherms,andpore-sizedistributionwasdetermined.

  • 标签: BENZENE ADSORPTION ISOTHERM diatomites SURFACE STRUCTURE
  • 简介:Theisothermaladsorptionofdyesonavarietyofsisalbasedactivatedcarbonfibers(SACFs),andtheinfluenceofpHandtemperatureonadsorptionarediscussedinthispaper.Theresultsindicatethattheadsorptionofmethyleneblue,crystalvioletandEriochromeblueblackRonSACFsshowstypeIisothermsandcanbedescribedbytheLangmuirequationortheFreudlichequation.Theacidityofsolutionhasgreatlyinfluenceovertheadsorptionamountsofmethyleneblue,crystalvioletandEriochromeblueblackR.AspHsofthesolutionswereadjustedtoincreaseordecreasefromtheoriginalacidityofthesolution(4.7,4.1and4.0formethyleneblue,crystalvioletandEriochromeblueblackR,respectively),theamountsofdyesadsorbedonSACFsincreased.Theadsorptiontemperature(intherangeof25-50℃)exertslittleinfluenceontheadsorptionamountofmethyleneblue,crystalvioletandfluorescein.Forazodyes(EriochromeblueblackRandEriochromeblackT),however,theadsorptionamountincreasesslightlywiththeelevationoftemperature.

  • 标签: 染料吸附作用 活性碳纤维 结晶紫 亚甲蓝
  • 简介:第一原则的计算被执行学习有TiC的形态学的硼和它的关系的吸附。尽管所有低索引的TiC水晶飞机上的硼的吸附是热地有利的,它将更容易被吸附由,这被发现终止C{111}并且{011}飞机,当时不太可能被吸附由{001}。B-B簇的形成的学习显示硼adatoms在上的分发终止C(111)并且{011}飞机将是更一致的,并且adatom的散开进一步证实上述结果。根据几何学关系和不同水晶飞机的生长率,TiC上的硼的吸附将严重阻碍生长,这被推出{111}并且{011}飞机,它能让TiC长成六角形的血小板。

  • 标签: TIC 吸附 表面和接口 第一原则的计算
  • 简介:Theadsorptionkineticsandmechanismofanovelchelateresin,macroporousphosphonicacidresin(PAR)forIn(III)wereinvestigated.Thestaticallysaturatedadsorptioncapacityis216mg·g-1resinat298KinHAc-NaAcmedium.Theapparentadsorptionrateconstantisk298=4.84×10-5s-1.TheadsorptionbehaviorofPARforIn(III)obeystheFreundlichisotherm.Thethermodynamicadsorptionparameters,enthalpychange△H,freeenergychange△Gandentropychange△SofPARforIn(III)are11.5kJ/mol,-12.6kJ/moland80.8J/mol·K,respectively.TheapparentactivationenergyisEa=3.5kJ/mol.ThemolarcoordinationratioofthefunctionalgroupofPARtoIn(III)isabout3∶1.

  • 标签: 大孔磷酸树脂 吸附作用 吸附动力学 热力学吸附