分子筛系列之--扩散篇--Diffusion in Zeolites

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1、DiffusioninZeolites:TowardsaMicroscopicUnderstandingPROEFSCHRIFTterverkrijgingvandegraadvandoctoraandeTechnischeUniversiteitEindhoven,opgezagvandeRectorMagnificus,prof.dr.R.A.vanSanten,vooreencommissieaangewezendoorhetCollegevoorPromotiesinhetopenbaarteverdedigenopdinsdag5no

2、vember2002om16.00uurdoorDannySchuringgeborenteAmersfoortDitproefschriftisgoedgekeurddoordepromotoren:prof.dr.R.A.vanSantenenprof.dr.P.A.J.HilbersCIP-DATALIBRARYTECHNISCHEUNIVERSITEITEINDHOVENSchuring,Danny.Diffusioninzeolites:towardsamicroscopicunderstanding/byDannySchurin

3、g.-Eindhoven:TechnischeUniversiteitEindhoven,2002.Proefschrift.-ISBN90-386-2624-XNUR913Trefwoorden:heterogenekatalyse;zeolieten/poreuzematerialen;diffusie/adsorptie/fysisch-chemischesimulatieenmodellering/moleculairedynamica/alkanen/radiochemie;positron-emissieSubjectheadi

4、ngs:heterogeneouscatalysis;zeolites/porousmaterials;diffusion/adsorption/physiochemicalsimulationandmodeling/moleculardynamics/alkanes/radiochemistry;positronemissionPrintedatUniversiteitsdrukkerij,EindhovenUniversityofTechnology.Theworkdescribedinthisthesishasbeencarriedo

5、utattheSchuitInstituteofCatal-ysis(partofNIOK,theNetherlandsSchoolforCatalysisResearch),EindhovenUni-versityofTechnology,TheNetherlands.Contents1Introduction11.1Catalysis................................11.1.1Theprinciplesofcatalysis..................21.1.2Zeolites.........

6、...................31.1.3Zeolitesandthecatalyticcycle................51.2Diffusion...............................61.2.1Diffusioningasesandliquids................61.2.2Diffusioninmicroporousmaterials.............71.3Thestudyofdiffusioninzeolites...................81.4Comput

7、ationaltechniques......................81.5Questionstobeanswered.......................91.6Overviewofthisthesis........................101.7References...............................112DiffusioninZeolites:ConceptsandTechniques132.1Intracrystallinediffusion...................

8、....132.1.1Fromgas-phasetomicroporediffusion...........132.1.2Diffusioninzeolites........