پديد آورنده :
زينعلي، فرشته
عنوان :
بررسي توانايي معادلات حالت در تعيين خواص ترموفيزيكي مايعات يوني و ارايه چند تابع همبستگي براي تعيين اين خواص
مقطع تحصيلي :
كارشناسي ارشد
گرايش تحصيلي :
شيمي فيزيك
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي
صفحه شمار :
يازده،63ص.: مصور،جدول،نمودار
يادداشت :
ص.ع.به فارسي و انگليسي
توصيفگر ها :
فاكتور تراكم پذيري , جفت پتانسيل موثر , فشار حرارتي , تابع همبستگي PVT
تاريخ نمايه سازي :
1/11/92
استاد داور :
حسين فرخ پور، كيومرث اسكندري
چكيده فارسي :
به فرسي و انگليسي: قابل رويت در نسخه ديجيتالي
چكيده انگليسي :
Evaluation of The Ability of equation of State in Predication of The Ionic Liquids Thermo physical Properties of and Presentation of Some Correlation Functions for Determination of These Properties Fereshteh Zeinali Abstract Room temperature ionic liquids RTILs are molten salts usually composed of relatively large organic cations and organic or inorganic anions which are liquid below 100 oC An important advantage of ionic liquids is the tunable physical and chemical properties of this family Some of their physical and chemical properties e g density viscosity conductivity melting point solvation hydrophobicity and hydrogen bonding capability can be tailored by the selection of suitable cations anions and constituent groups on the ions The experimental study of ionic liquids is difficult due to large effects of common impurities such as water and chloride ions on the properties of these materials Modeling and computational science could greatly aid in predicting properties and performance of ionic liquids Due to importance and application of ionic liquids we need a big data bank on the fundamental physical and chemical properties of ionic liquids therefore predictive methods for estimation of thermophysical properties in wide range of pressures and temperatures can be very helpful The two most commonly used method of calculating PVT properties are using equations of state EOS and PVT correlation functions The first requires adequate knowledge of molecular interactions which are rare and some cases unobtainable for complex fluids This limitation will be intensified for ionic liquids of wide variety ranging from simple inorganic ions e g halides to more complex organic species e g triflate The other point is that ionic liquids are composed of two different molecules cations and anions and nearly all the developed equations of state are for one unique and simple molecules In this thesis the compressibility factor and thermal pressure of some well known ionic liquids are calculated using five well known EOS and compared with experimental values We showed that all of these EOS which are based on L J potential or its effective types are not able to predict these quantities accurately especially at regions with low compressibility factors i e Therefore we derived 4 correlation functions for the calculation of these properties The first and second of these function namely CF 1 and CF 2 can calculate only the compressibility factors the third namely CF 3 thermal pressure coefficient and the most important and practical correlation function is the fourth namely CF 4 that can calculate both compressibility factor and thermal pressure coefficient simultaneously The correlation function CF 4 is derived as e1T e2T 2 e3T 3 V e V0 f1P f 2 P 2 f where V0 is defined as PDF created with pdfFactory trial version www pdffactory com
استاد داور :
حسين فرخ پور، كيومرث اسكندري
