کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376608 | 1504328 | 2006 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
'Exact' integral equation theory and local formulation for excess thermodynamic properties of hard spheres
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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 hybrid hard sphere bridge function is proposed, which, in combination with the standard Ornstein-Zernike integral equation, can predict extremely accurately hard sphere compressibility, virial pressure, and correlation function. Second, a local formulation for determination of excess chemical potential is derived out, which, in combination with the present hybrid hard sphere bridge function and OZ integral equation, can predict the excess chemical potential also extremely accurately. The resultant excess entropy is in excellent agreement with that from the Carnahan-Starling equation of state. The present formalism performs excellently over the whole density range, i.e. from zero to freezing density, and is largely superior to a formalism available in the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 330, Issue 3, 21 November 2006, Pages 478-485
Journal: Chemical Physics - Volume 330, Issue 3, 21 November 2006, Pages 478-485
نویسندگان
Shiqi Zhou,