简介:ThecrystalstructureofDi-nitratobis(ethylcaprolactam)uranyl(Ⅱ)UO2[CH2(CH2)4CONC2H5]2(NO3)2wasestablishedbyasingle-crystalX-raydiffractionstudy.Itistriclinie,spacegroupP1,witha=7.171(2),b=8.655(3),c=10.182(5)A,α=78.27(3),β=70.63(3),γ=81.76(3)°,V=581.7(4)A3,Z=l,Dc=1.94g.cm-3.FinalRvalueis0.0218.Theresultrevealsthaturanylioniscoordinatedtosixoxygenatoms,twoofthemarefromtwocarbonylgroupsofethylcaprolactamandtheotherfourarefromtwonitrategroups.
简介:Inthispaper,weuseamethodinordertofindexactexplicittravelingsolutionsinthesubspaceofthephasespaceforCH2equations.Thekeyideaisremovingacoupledrelationforthegivensystemsothatthenewsystemscanbesolved.Theexistenceofsolitarywavesolutionsisobtained.Itisshownthatbifurcationtheoryofdynamicalsystemsprovidesapowerfulmathematicaltoolforsolvingagreatmanynonlinearpartialdifferentialequationsinmathematicalphysics.
简介:Thetitlecomplex[NH_3CH_2CH(NH_2)CH_3]_2[M(Ⅵ)O_2(OC_6H_4O)_2](M=Mo_(0.6)W_(0.4))wassynthesizedviaasimplesolution-phasechemicalroute.ThedeterminationofsinglecrystalX-raydiffractionrevealedthatthetitlecompoundiscrystallizedinamonoclinicsystemwithP2(1)/nspacegroup,a=1.0913(10)nm,b=1.0442(10)nm,c=1.8842(19)nm,α=90°,β=96.530(17)°,γ=90°,Z=4,andV=2.133(4)nm3.Themononuclearanionicunit[M(Ⅵ)O2(OC6H4O)2]2-displayschiralpseudo-octahedral[MO_6]coordinationgeometryandislinkedbychiralcationsviahydrogenbondandπ…πstackinginteraction.Thetransmissionelectronmicroscopyimagesshowthatthetitlecomplexiscomprisedofnano-particleswithdiametersrangingfrom20to50nm.TheNMRstudyshowsthe1Hdownfieldchemicalshiftsof[NH_3CHaHbCH(NH_2)CH_3]+cationsinthetitlecomplexwhenitismixedwithadenosine-triphosphate(ATP),andthechemicalshiftdifferencebetweenHaandHbisincreasedgreatly,andmostofthecatecholateligandsdissociatefromthecentralmetalatoms.TheDNAcleavageactivityexperimentrevealsthatDNAcleavagepromotedbythetitlecomplexislowerthanthatbyNa_2MoO_4whichpossessesantitumorpro-perty,buthigherthanthatbyNa_2WO_4.
简介:InthispaperweusedMOF-5andCu3(BTC)2toseparateCO2/CH4andCH4/N2mixturesunderdynamicconditions.Bothmaterialsweresynthesizedandpelletized,thusallowingforameaningfulcharacterizationinviewofprocessscale-up.ThematerialswerecharacterizedbyX-raydiffraction(XRD)andscanningelectronmicroscopy(SEM).Byperformingbreakthroughexperiments,wefoundthatCu3(BTC)2separatedCO2/CH4slightlybetterthanMOF-5.BecausethecrystalstructureofCu3(BTC)2includesunsaturatedaccessiblemetalsitesformedviadehydration,itpredominantlyinteractedwithCO2moleculesandmoreeasilycapturedthem.Conversely,MOF-5withasuitableporesizeseparatedCH4/N2moreefficientlyinourbreakthroughtest.
简介:利用水热法首次合成了具有两种配位环境Cd原子的新型杂多蓝化合物[NH3(CH2)2NH3]5[Cd(H2O)][CdMo12^vO30(HPO4)6(H2PO4)2]·5H2O.通过元素分析、ICP、TG和X射线单晶衍射确定了其组成,使用IR和EPR进行了结构表征.通过N2吸附脱附测定了比表面积和孔径,为催化研究提供了基础数据.结果表明:该晶体为三斜晶系,P-1,空间群;晶胞参数a=1.2002(2)nm,b=1.4651(3)nm,c=2.1192(4)nm,V=3.5642(12)nm^3,p=83.01(3)°,Z=2,F(000)=2932,R1=0.0300,wR2=0.0716.
简介:ThispaperpresentsabriefoverviewofCO2reformingofCH4(CRM)byvariousformsof'arc'plasma,whichismoresuitabletoCRM,andtheenergyefficiencyisusedtoevaluatedifferentplasmaprocessesspecifically.Accordingtothereportedresults,thearcthermalplasmawithbinodeexhibitedbetterperformance.Moreover,theplasmaCRMprocesswascomparedwiththereportedplasmasteamreformingofCH4(SRM)process,andtheresultsshowedthattheformerprocesshasadvantagesonenergyefficiencyandCH4consumption.Additionally,itisbelievedthattheplasmaCRMprocesswouldbecompetitivewiththeconventionalSRMprocessinbothenergyefficiencyandCO2emissiononcetheheatmanagementisemphasizedandtherenewablepowerisused.Finally,aconceptofplasmareactorforindustrialapplicationisproposed.
简介:MoleculardynamicssimulationsareperformedtostudythegrowthmechanismofCH4-CO2mixedhydrateinxCO2=75%,xCO2=50%,andxCO2=25%systemsatT=250K,255Kand260K,respectively.OursimulationresultsshowthatthegrowthrateofCH4-CO2mixedhydrateincreasesastheCO2concentrationintheinitialsolutionphaseincreasesandthetemperaturedecreases.Viahydrateformation,thecompositionofCO2inhydratephaseishigherthanthatininitialsolutionphaseandtheencagingcapacityofCO2inhydratesincreaseswiththedecreaseintemperature.ByanalysisofthecageoccupancyratioofCH4moleculesandCO2moleculesinlargecagestosmallcages,wefindthatCO2moleculesarepreferablyencagedintothelargecagesofthehydratecrystalascomparedwithCH4molecules.Interestingly,CH4moleculesandCO2moleculesfrequentlyreplacewitheachotherinsomeparticularcagesitesadjacenttohydrate/solutioninterfaceduringthecrystalgrowthprocess.Thesetwospeciesofguestmoleculeseventuallyacttostabilizethenewlyformedhydrates,withCO2moleculesoccupyinglargecagesandCH4moleculesoccupyingsmallcagesinhydrate.
简介:Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.
简介:CO2photoreductionisanattractiveprocesswhichallowsthestorageofsolarenergyandsynthesisofsolarfuels.Manydifferentphotocatalyticsystemshavebeendeveloped,whilethealternativephoto-reactorsarestillinsufficientlyinvestigated.Inthiswork,photoreductionofCO2withH2OintoCH4wasinvestigatedinamodifiedconcentratingsolarreactor,usingTiO2andPt/TiO2asthecatalysts.TheTiO2andPt/TiO2sampleswereextensivelycharacterizedbydifferenttechniquesincludingpowderX-raydiffraction(XRD),N2adsorption/desorptionandUV–visabsorption.ThecatalyticperformanceoftheTiO2andPt/TiO2samplesinthegasphasewasevaluatedunderunconcentratedandconcentratedXe-lamplightandnaturesolarlightwithdifferentconcentratingratios.VariousparametersofthereactionsystemandthecatalystswereinvestigatedandoptimizedtomaximizethecatalyticperformanceofCO2reductionsystem.Comparedwiththenormallightirradiation,theTiO2andPt/TiO2samplesshowhigherphotocatalyticactivity(about6–7times)forreducingCO2intoCH4underconcentratedXe-lamplightandnaturesolarlight.Intherangeofexperimentallightintensity,itisfoundthattheconcentrationofthelightmakesitsuitableforthecatalyticreaction,andincreasestheutilizationefficiencyoftheTiO2andPt/TiO2sampleswhiledoesnotdecreasethequantumefficiency.
简介:为了研究旁路/离线人工湿地系统在净化水体时的温室气体排放状况及其与环境因子的关系,于2010年7~11月,采用静态箱~气相色谱法,对罗马湖旁路/离线人工湿地系统的3个不同景观结构单元f温榆河龙道河交叉处河岸带S1采样点、龙道河河道s2采样点和罗马东湖湖岸带s3采样点)的CO2、CH,和N2O排放通量进行了同步采样和对比研究,探讨了影响温室气体排放的主要环境因子。研究结果表明,该湿地系统CO2、CH。和N:O的排放通量都有明显的时空变化特征。从空间上看,S1采样点和s2采样点的CO:月平均排放通量较高,分别为73.5mg/(m2.h)和75.1mg/(m2.h),与其表层(0--5cm)沉积物中较高的有机质含量(7.04±29.4g/kg)有关。S2采样点的CH4月平均排放通量[4.78mg/(m2·h)]高于s1采样点[1.59mg/(m2·h)]和s3采样点[1.70mg/(m2·h)],其与该采样点水体中的氧化还原电位显著负相关(r=-0.779,p〈0.01)。3个不同景观结构单元的N2O排放通量差异不大[0.022~0.025mg/(m2.h)】;相关性分析结果表明,N2O排放通量与表层沉积物的N02-—N含量显著正相关fr=0.689,p〈0.05)。从时间上看,水温是影响旁路/离线人工湿地系统运行时CH4和N2O排放通量的重要环境因子。
简介:应用密度泛函理论中的ω-B97XD/6-311+G(d,p)方法,对甲湛分子团簇[CH2O]n(n=1~4)的空间结构进行了优化,得到了这些团簇的基态结构,并对其红外光谱,核磁共振谱的性质进行了研究.结果表明,当甲醛分子构成稳定的多分子团簇时,团簇中的每个分子仍然为平面结构,分子间将形成氢键,并且团簇中的各个分子共面.与单分子甲醛相比,多分子团簇的红外光谱,会出现许多与分子间氢键振动有关的新的吸收峰.当甲醛分子形成团簇时,13C核和17O核的核磁共振谱线会发生劈裂现象,这与电荷分布的对称性的破缺有关;而1H的核磁共振谱中将会出现新的条纹,这是由分子间的氢键的形成引起的.本文的研究可为甲醛团簇的识别、检测及性质研究提供理论依据.
简介:CrystallineTiO2(P25)andisolatedtitanatespeciesinaZSM-5structure(TS-1)weremodifiedwithAuandAg,respectively,andtestedinthegas-phasephotocatalyticCO2reductionunderhighpurityconditions.Thenoblemetalmodificationwasperformedbyphotodeposition.LightabsorbancepropertiesofthecatalystsareexaminedwithUV–Visspectroscopybeforeandaftertheactivitytest.Inthegas-phasephotocatalyticCO2reduction,itwasobservedthatthecatalystswithAgnanostructuresaremoreactivethanthosewithAunanostructures.Itisthusfoundthattheenergeticdifferencebetweenthebandgapenergyofthesemiconductorandthepositionoftheplasmonisinfluencingthephotocatalyticactivity.Potentially,plasmonexcitationduetovisiblelightabsorptionresultsinplasmonresonanceenergy,whichaffectstheexcitationofthesemiconductorpositively.Therefore,anoverlapbetweenbandgapenergyofthesemiconductorandmetalplasmonisneeded.