7914

7362

كارشناسي ارشد

فيزيك

اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي

1391

هشت،116ص.: مصور،جدول،نمودار

ص.ع.به فارسي و انگليسي

عزت كشاورزي

9/6/92

بيژن نجفي، حسين فرخ پور

شيمي

ID7362

به فارسي و انگليسي: قابل رويت در نسخه ديجيتالي

118 Prediction of the low angle structure of factor of CO2 confined fluid in aerogel nano pores Marzieh Khani m khany@ch iut ac ir Date of Submission 2013 03 16 Department of Chemistry Isfahan University of Technology Isfahan 84156 83111 Iran Degree M Sc Language Farsi Supervisor Ezat Keshavarzi keshavarz@cc iut ac ir Abstract The aim of this thesis is prediction of structure of factor S Q in low Q region for confined CO2 in aerogel and comparison of it with macroscopic CO2 To do so at first we obtained I 0 and S 0 values of macroscopic and confined CO2 via extrapolation of the experimental data the known equations Obtained value of S 0 for confined CO2 was larger than macroscopic CO2 We could conclude that correlations in confined fluid is larger than macroscopic fluid We used RPA theory that had predicted S Q for macroscopic fluids in low Q region Our results showed that this theory was just usable for macroscopic fluid so we used models for c r to predict S Q for confined fluid in this low Q region These models should show the larger correlation in confined fluids than macroscopic fluids so we offered PYMFF theory This theory showed unknown fluctuations for S Q in this low Q region According to importance of attractions in low Q region this incompatibility was due to low positive correlation contribution in c r than negative correlation contribution To improve negative to positive correlations in DCF we used perturbation in that in PYMFF theory This model first used by Keshavarzi Nikoofardthat had predictedS Q for macroscopic fluids in low Q region Calculated S Q for confined fluid in this model had good agreement with experimental results To improve results we offered Keshavarzi Khani I model for c r This model had better results than Keshavarzi Nikoofard model for confined fluid Keshavarzi Khani II was final model for c r that had the best agreement with experimental results for confined fluid in this low Q region This agreement was due to better positive to negative correlation in this method Key words Low angle structure of factor Confined fluid Keshavarzi Nikoofard model RPA model Keshavarzi Khani I PYMFF model Keshavarzi Khani II model PDF created with pdfFactory trial version www pdffactory com

عزت كشاورزي

بيژن نجفي، حسين فرخ پور