Prediction of Thermophysical Properties of Ionic Liquids (ILs) by Implementation of Hole Theory
Publish Year: 1397
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ISPTC21_273
تاریخ نمایه سازی: 30 دی 1397
Abstract:
In this approach we utilized the calculated data of diffusion coefficient via MD simulation,i.e. MSD (Mean Square Displacement) (…). According to the EQ., 1 one can estimate viscosity coefficient by knowing the diameter ofmolecule. We postulated this diameter is given by Hole theory (Hydrodynamic Hole Radius).The values of surface tensions of ILs are calculated through Fowler, Kirkwood & Buffequation[1]. (...). Assessment of the Stokes-Einstein equation is depicted by drawing of (Dη)/ (T) versus 1/r.Our severe test confirms the linearity of diagram and then verifies the validity of the aforesaidapproach.
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Authors
Atieh Akbari
Department of Chemistry, Faculty of Science, University of Neyshabur, Neyshabur
Vahid Sokhavaran
Department of Chemistry, Faculty of Science, University of Neyshabur, Neyshabur
Behzad Haghighi
Department of Chemistry, Faculty of Science, University of Neyshabur, Neyshabur,