9375

8657

كارشناسي ارشد

شيمي- شيمي آلي

اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي

1393

دوازده،91ص.: مصور،جدول،نمودار

ص.ع.به فارسي و انگليسي

عبدالحسين دباغ

عليرضا نجفي

25/9/93

امير عبدالملكي، حسين توكل

شيمي

ID8657

دوازده چكيده هدف ين پروژه چگونگي ساخت كاتاليست آلومينا با حفرههاي خاص با ستفاده ز قالب باي نفتول باينول ميباشد بر ي ين كار مخلوط آلومينا و باي نفتول ر در دماهاي ۰۲۱ ۰۵۲ ۰۵۳ و ۰۰۵ درجه سانتيگر د قر ر د ده شد تحت ين شر يط دمايي ويژگيهاي ساختاري و همچنين خصوصيات كاتاليستهاي بدست آمده مورد بررسي قر ر گرفت لذ با تغيير دماي تهيه كاتاليست تغيير ت يجاد شده در ساختار كاتاليست با ستفاده ز روشهاي BET EDX FT IR SEM XRD و TG DSC بررسي شد بر ي بررسي خو ص

Investigation the effect of BINOL on gamma alumina structure and its selectivity on dehydration of 2 Octanol the quantum mechanic chemistry calculations of BINOL adsorption on gamma alumina spinel 100 and 110 surfaces Mahdi reisi hasani mahdireisi1367@gmail com Department of Chemistry Isfahan University of Technology Isfahan 84156 83111 IranDegree M Sc Language FarsiProf H A Dabbagh Email dabbagh@cc iut ac irAbstract Amorphous high surface area Al2O3 BINOL was prepared using sol gel method Theeffects of temperature on the structure and texture of alumina doped with BINOL wereinvestigated using XRD SEM EDX BET TG DTG DSC and FT IR Also BJH wasplotted to determine meso and micropore distribution 2 octanol dehydration was performed using three prepared catalysts Also in order toexplanation of observed reactivity and selectivity and its relationship with catalyst catalyststhen appropriate mechanisms were presented 2 octanol reaction on catalysts the selectivitychanged Overally we got 1 octene 2 octene 3 octene 2 ctanone which first one wasdominant octanal dioctylether In the quantum mechanic chemistry calculations were performed for the alumina 100 and 110 surfaces doped with BINOL The stability of surface structures depends upon thevalence electrons and the position of doping atom Finally the most sensitive and the mostinsensitive location based on the charge difference and characteristics of the ion weredetermined In addition 15 different posses of BINOL adsorption on alumina 100 and 110 surfaces were studied to specify the best absorption manner In this regard changes inBINOL molecule after adsorption on the surface different places were considered and itwas found that BINOL s oxygen and then hydrogen connected to oxygen have dominanteffect on BINOL adsorption In addition we probed changes in bond lengthes and angles ofBINOL molecule Our results revealed C O and then O H bonds are the most variablebonds of BINOL and also rotation of BINOL rings during adsorption Key Words Al2O3 BINOL SEM BET TG DTG DSC DFT alumina 100 and 110 surfaces 2 octanol dehydration

عبدالحسين دباغ

عليرضا نجفي

امير عبدالملكي، حسين توكل