کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5413326 | 1506622 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Modified equation of state for pure and hard sphere mixtures in mean ionic activity coefficient calculations by mean spherical approximation model
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A hard sphere equation of state (EOS) based on tetrakaidecahedron cell geometry (instead of spherical shape) and highly optimized molecular dynamic simulation data is proposed. The EOS is extended to hard sphere mixture and its performance for compressibility factor calculation at different diameter size of hard sphere mixtures by using various mixing rule is compared with Monte Carlo simulation data. The results indicated that for all mixing rules, the proposed EOS has minimum error comparing with computer simulation data. Also the residual prosperities are derived by using the proposed EOS. The residual properties are used in mean spherical approximation model (MSA) to evaluate the mean ionic activity coefficient of aqueous electrolyte solutions. The results are compared with those obtained by similar hard sphere equations of state and it is shown that the proposed EOS has a better performance in predicting the mean ionic activity coefficient.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 142, Issues 1â3, 20 August 2008, Pages 45-52
Journal: Journal of Molecular Liquids - Volume 142, Issues 1â3, 20 August 2008, Pages 45-52
نویسندگان
M.R. Dehghani, H. Modarress,