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

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。

简介：我们学习分子的氧的绑定到一(5，0)单身者原文如此围了nanotube，借助于密度功能的计算。在SiCNT表面上的地点的硅和碳原子的等边六角形的中心是为O2分子的最稳定的吸附地点，与一个有约束力的精力?38.22eV和1.698的平均SiO有约束力的距离?。我们也与abinitio测试了O2adsorbedSiCNT/CNT的稳定性在房间温度被执行了的分子的动力学模拟。而且，单个围的碳nanotubes上的O2的吸附被调查了。我们的第一原则的计算预言硅碳化物nanotubes的O2吸附的能力比碳nanotubes的好一些。这可能为煤气的察觉和精力存储有潜力。

简介：线性链烷的混合物的吸附等温线，包含n戊烷，n己，；在pillared的n-heptane有三不同的孔Ω=的分层的材料(PLM)0.98，0.94；0.87，；三毛孔宽度H=1.02，1.70；在温度T=300K的2.38nm被使用configurational偏爱蒙特卡罗(CBMC)模仿在宏大正规整体的技术。一个格子模特儿被雇用计算在一个液体分子之间的相互作用；这里的二块分层的板。为链烷混合物，n-heptane，在链烷混合物的最长的链部件，优先地在低压力被吸附，与它增加的吸附；当时，然后作为压力减少连续地增加n戊烷，在链烷混合物的最短的链部件，仍然在高压力被吸附；链烷混合物的最长的链部件的吸附作为毛孔宽度增加；PLM增加的孔。

简介：Adsorptionisoneofthewidelyusedprocessesinthechemicalindustryenvironmentalapplication.Ascomparedtomathematicalmodelsproposedtodescribebatchadsorptionintermsofisothermandkineticbehavior,insufficientmodelsareavailabletodescribeandpredictfixed-bedorcolumnadsorption,thoughthelatteroneisthemainoptioninpracticalapplication.Thepresentreviewfirstprovidesabriefsummaryonbasicconceptsandmathematicmodelstodescribethemasstransferandisothermbehaviorofbatchadsorption,whichdominatethecolumnadsorptionbehaviorinnature.Afterwards,thewidelyusedmodelsdevelopedtopredictthebreakthroughcurve,i.e.,thegeneralratemodels,lineardrivingforce(LDF)model,wavepropagationtheorymodel,constantpatternmodel,Clarkmodel,Thomasmodel,Bohart-Adamsmodel,Yoon-Nelsonmodel,Wangmodel,Wolborskamodel,andmodifieddose-responsemodel,arebrieflyintroducedfromthemechanismandmathematicalviewpoint.Theirbasiccharacteristics,includingtheadvantagesandinheritshortcomings,arealsodiscussed.Thisreviewcouldhelpthoseinterestedincolumnadsorptiontoreasonablychooseordevelopanaccurateandconvenientmodelfortheirstudyandpracticalapplication.

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简介：低温度的吸附为弄干的生物材料弄干和它的申请的优点的工作原则在这份报纸被介绍。由把新鲜生姜用作弄干的材料，它的弄干的特征上的温度和相对湿度的效果被检验。结果证明弄干的率增加，温度或减少的湿度增加。平衡的弄干的时间是几乎，在不同湿度下面的一样调节，但是低平衡潮湿内容能在低湿度下面被获得。新鲜生姜的收缩特征也被学习。它的表面外观的变化被新控告的联合设备(电荷耦合器件)和环境扫描电子显微镜学(ESEM)在弄干的过程期间描绘技术。弄干动力学的一个数学模型根据实验被建立。弄干的关键词低温度的吸附-生姜-弄干特征-收缩特征-数学模型CLC数字TK173

简介：Wesynthesizedonequaternaryammoniumpolymericionicliquids（PILs）P[VBTHEA]ClandthreeimidazoliumPILsofP[VEIm]Br,P[VEIm]BF4,P[VEIm]PF6byfree-radicalpolymerizationinsolution.ThesePILswerecharacterizedbyFT-IR,1H-NMR,13C-NMR,TGA,XRDandSEM.TheirCO2adsorptioncapacitiesweremeasuredunderdifferentpressuresandtemperaturesbyconstant-volumetechnique.ItwasobservedthatquaternaryammoniumPILsofP[VBTHEA]ClhavehigheradsorptioncapacityforCO2thanthoseimidazoliumPILs,followingP[VBTHEA]Cl>P[VEIm]PF6>P[VEIm]BF4>P[VEIm]Br,whichmaybeascribedtohigherpositivechargedensityonammoniumcationthanthatonimidazoliumcationandthusstrongerinteractionwithCO2,consistentwiththeresultsfromdual-modeadsorptionmodelthatammoniumPILshavemuchhigherCO2bulkabsorptionthanimidazoliumPILs.CO2adsorptioncapacityofP[VBTHEA]Clis9.02mg/gunder295Kand1bar,whichiscomparabletothatofsomeotherPILs,andismuchhigherthanthatofthecorrespondingILsmonomer.ThesePILshavegoodadsorptionselectivityforCO2overN2andregenerationefficiency.

简介：Formicacidphotodegradationisoneofthemostimportantreactionsinorganicpollutioncontrol,andhelpstoimprovethehydrogengenerationefficiencyintitaniumdioxidecatalyzedwaterphotodecomposition.BasedondensityfunctionaltheoryandReaxFFmoleculardynamics,theadsorption,diffusionandactivationofformicacidonthedifferentanataseTiO2（101）,（001）,（010）surfacesareinvestigated.TheresultshowsthattheadsorptionofCOOHonanataseTiO2surfaceshrinkstheenergygapbetweenthedehydrogenationintermediateCOOHandHCOO.OntheanataseTiO2（101）surface,theformicacidbreakstheO–Hbondatthefirststepwithactivationenergy0.24eV,andtheconsequentbreakofα-Hbecomemucheasierwithactivationenergy0.77eV.Thedissociationofα-HisthedeterminationstepoftheHCOOHdecomposition.

简介：有水的沸石的二吸附制冷工作对；乙醇被学习；Dubinin-Astakhov模型的参数是用平衡的试验性的数据的regressed。异质的系数为沸石水对从1.305～1.52变化了；为沸石乙醇从1.73～2.128配对。最大的吸附能力为沸石水从0.315～0.34变化了；0.23～0.28为沸石乙醇分别地。结果证明沸石水对对因为水而且因为更好的平衡表演的蒸发的高潜伏的热，冷却的太阳能合适不仅。在另一方面，沸石乙醇在高新生温度给高吸附能力，它意味着它能在象总线一样的发情引擎系统被使用；汽车。

简介：Inthispaper,anovelcopper-basedcatalystforFCCgasolineimprovingtheabilityofremovalthesulfurandavoidingthelossoftheoctanenumberfromolefinsaturationbyreactiveadsorptiondesulfurization(RADS)wasinvestigated.TheseriesofCu/ZnO-Al2O3catalystswerecharacterizedbyX-raypowderdiffraction(XRD),N2adsorptionanalysisandtemperature-programmedreduction(TPR)studies,X-rayphotoelectronspectroscopy(XPS),scanningelectronmicroscope(SEM)andtransmissionelectronmicroscopy(TEM).Theexperimentresultsshowedthatthecatalystshadanoptimumdesulfurizationabilitywithcopperloading6wt%,whichthesulfurcontentsofproductdecreasedlessthan10μg/gandolefincontentsdecreasedfrom16.19%to14.14%forthelongperiodoperation.TheappropriateCuloadingcontentcouldleadtothehighactiveandlowapparentactivationenergy(Ea).Therefore,theCu-basedcatalystmaybecomeanovelcatalystforsecond-generationforreactiveadsorptiondesulfurization,whichachievesthehighdesulfurizationactiveandlowolefinssaturationtosatisfytheupgradingtheproduct.

简介：Itisimportanttoquantitativelyunderstandthemethaneadsorptionandtransportmechanismincoalforanevaluationofthereservesandforitsproductionforecast.Inthiswork,ablockcoalsamplewaschosentoperformtheCH4adsorptionexperimentsusingthegravimetricmethodattemperaturesof293.60K,311.26K,332.98Kand352.55Kandpressuresupto19MPa.TheexcessadsorptioncapacityofCH4indryblockanthraciteincreased,followedbyasequencedecreasewiththeincreasingpressure.Hightemperaturerestrainedthegrowthoftheexcessadsorptionduetothattheadsorptionisanintrinsicallyphysicalandexothermicprocess.Theexcessadsorptionpeakdecreasedslowlywiththeincreaseoftemperatureandintersectedatapressureofmorethan18MPa;meanwhile,thepressureattheexcessadsorptionpeakincreased.Theexistingcorrelationswereexaminedintermsofdensityratherthanpressure.TheDR+kcorrelation,withanaveragerelativedeviationof±0.51%,fittedourdatabetterthantheothers,withanaveragerelativedeviationofupto2.29%.ThetransportationcharacteristicsofCH4adsorptionwasalsoinvestigatedinthisstudy,includingtheadsorptionrateanddiffusioninblockcoal.Thekineticdatacouldbedescribedbyamodifieduniporemodel.Theadsorptionrateswerefoundtoexhibitdependenceonpressureandtemperatureatlowpressures,whilethecalculateddiffusivitiesexhibitedlittletemperaturedependence.Inaddition,thekineticcharacteristicswerecomparedbetweenCH4andCO2adsorptionontheblockcoal.TheexcessadsorptionratiosofCO2toCH4obtainedfromtheDR+kmodeldecreasedwiththeincreasingpressure.

简介：TheadsorptionofCOonPtgroupmetals,asamostfundamentalelementaryreactionstep,hasbeenwidelystudiedincatalysisandelectrocatalysis.Particularly,thestructuresofCOonPt(111)havebeenextensivelyinvestigated,owingtoitsimportancetobothfundamentalandappliedcatalysis.Yet,muchlessisknownregardingCOadsorptiononaPt(111)surfacemodulatedbysupportedoxidenanostructures,whichisofmorerelevancetotechnicalcatalysis.Wethusinvestigatedthecoverage-dependentadsorptionofCOonaPt(111)surfacepartiallycoveredbyFeOxnanostructures,whichhasbeendemonstratedasaremarkablecatalystforlow-temperatureCOoxidation.Wefoundthat,duetoitsstrongchemisorption,thecoverage-dependentstructureofCOonbarePtisnotinfluencedbythepresenceofFeOx.But,oxygen-terminatedFeOxnanostructurescouldmodulatethediffusivityofCOattheirvicinity,andthusaffecttheformationoforderedCOsuperstructuresatlowtemperatures.Usingscanningtunnelingmicroscopy(STM),weinspectedthediffusivityofCO,followedthephasetransitionsofCOdomains,andresolvedthemoleculardetailsofthecoverage-dependentCOstructures.OurresultsprovideafullpictureforCOadsorptiononaPt(111)surfacemodulatedbyoxidenanostructuresandshedlightsontheinter-adsorbateinteractiononmetalsurfaces.

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简介：Topreparemanganese-containingspinelsulfurtransferagentwithacidpeptization,ultrasonicwaveisusedforthefirsttimetomodifythestructureofsulfurtransferagentinthiswork.Minifixedbedreactorwasusedtoinvestigatetheeffectofultrasonicpower,timeandtemperatureonthestructureandoxidationadsorptionperformanceofsulfurtransferagentandtheadsorptionkineticsandmechanismofSO2wereanalyzed.SEM,TEM,XRDandN2adsorption-desorptiontechniqueswereemployedtocharacterizeandanalysethefunctionofsulfurtransferagent.Theresultsindicatedthatmanganese-containingspinelisakindofpromisingsulfurtransferagentandexhibitshighersulfurcapacityanddesulfurizationdegreeundertheselectedconditionsoftheultrasonicwavepowerof60%,andwiththetreatmentperiodfor3hatatemperatureof60°C.

简介：Metal-organicframeworks(MOFs)haveattractedmuchattentionasadsorbentsfortheseparationofCO2fromfluegasornaturalgas.Here,atypicalmetal-organicframeworkHKUST-1(alsonamedCu-BTCorMOF-199)waschemicallyreducedbydopingitwithalkalimetals(Li,NaandK)andtheywerefurtherusedtoinvestigatetheirCO2adsorptioncapacities.Thestructuralinformation,surfacechemistryandthermalbehaviorofthepreparedadsorbentsampleswerecharacterizedbyX-raypowderdiffraction(XRD),thermo-gravimetricanalysis(TGA)andnitrogenadsorption-desorptionisothermanalysis.TheresultsshowedthattheCO2storagecapacityofHKUST-1dopedwithmoderatequantitiesofLi+,Na+andK+,individually,wasgreaterthanthatofunmodifiedHKUST-1.ThehighestCO2adsorptionuptakeof8.64mmol/gwasobtainedwith1K-HKUST-1,anditwasca.11%increaseinadsorptioncapacityat298Kand18barascomparedwithHKUST-1.Moreover,adsorptiontestsshowedthatHKUST-1and1K-HKUST-1displayedmuchhigheradsorptioncapacitiesofCO2thanthoseofN2.Finally,theadsorption/desorptioncycleexperimentrevealedthattheadsorptionperformanceof1K-HKUST-1wasfairlystable,withoutobviousdeteriorationintheadsorptioncapacityofCO2after10cycles.

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简介：UsingvanderWaalscorrecteddensityfunctionaltheory(vdW-DF)methodwehaveinvestigatedtheadsorptionofacetonemoleculeonpristineandPt-dopedgraphene.Severalactivesitesforboththeinteractingsystemshavebeenconsideredintheadsorptionprocessincludingfullgeometryoptimization.Wehaveanalyzedthestructuralandelectricalpropertiesofenergeticallyfavorableconfigurations.TheresultsshowthatadsorptionofacetonemoleculeonthePt-dopedgrapheneisenergeticallypreferable.Thebindingenergyandbondingdistancearedeterminedtobe-5.277eVand2.206A,respectively,accompanyingwithchargetransferof1.11e.Furthermore,thePt-0bondisrathersignificantlyelongatedwhenacetoneisadsorbedonPt-dopedgraphene.Comparedtopristinegraphene,thePt-dopedgraphenehasstrongerinteractionwiththeacetoneandmayprovidemoresensitivesignaiforasingleacetonemolecule.Meanwhile,practically,thebandgapofPt-dopedgraphenewouldbecomereducedafteracetoneadsorption.Consequently,ourfirst-principlesstudypresentsevidenceforacoherentbenchmarkfortheapplicabilityofPt-dopedgrapheneforacetoneadsorptionanddetection.

简介：Aseriesofamine-basedadsorbentsweresynthesizedusingsiliceousMCM-41individuallyimpregnatedwithfourdifferentamines(ethylenediamine(EDA),diethylenetriamine(DETA),tetraethylenepentamine(TEPA)andpentaethylenehexamine(PEHA))tostudytheeffectofaminechainlengthandloadingweightontheirCO2adsorptionperformancesindetail.TheadsorbentswerecharacterizedbyFT-IR,elementalanalysis,andthermo-gravimetricanalysistoconfirmtheirstructureproperties.Thermo-gravimetricanalysiswasalsousedtoevaluatetheCO2adsorptionperformanceofadsorbents.Longerchainamine-basedmaterialscanachievehigheramineloadingsandshowbetterthermalstability.TheCO2adsorptioncapacitiesatdifferenttemperaturesindicatethattheCO2adsorptionisthermodynamicallycontrolledoverEDAMCM41andDETA-MCM41,whiletheadsorptionoverTEPA-MCM41andPEHA-MCM41isunderkineticcontrolatlowtemperature.ThechainlengthofaminesaffectstheCO2adsorptionperformanceandtheadsorptionmechanismsignificantly.TheresultsalsoindicatethatCO2adsorptioncapacitycanbeenhanceddespiteofhighoperationtemperatures,ifappropriateamines(TEPAandPEHA)areapplied.However,adsorbentswithshortchainamineexhibithigheradsorptionanddesorptionratesduetothecollaborativeeffectofrapidreactionmechanismsofprimaryaminesandlessdiffusionresistanceofshorterchainlengthamines.