کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
200660 460506 2015 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A generalization of random phase approximation as a new theory in the thermodynamic perturbation theory of simple fluids
ترجمه فارسی عنوان
تعمیم تقریب فاز تصادفی به عنوان یک نظریه جدید در نظریه ی تضمین ترمودینامیکی مایعات ساده
کلمات کلیدی
نظم ترمودینامیکی نظم بیشتر نظریه، تقریب فاز تصادفی مرتبه دوم
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی

A generalization of the optimized random phase approximation in the thermodynamic perturbation theory of liquids is proposed. By introducing a new method, we can derive an approximate analytical expression for the free energy of simple liquids. This is achieved by invoking a direct correlation function more general than the mean spherical approximation. By correcting the unphysical behavior of the corresponding radial distribution function in the hard core region, we attain a new perturbation expansion as a natural generalization of the optimized random phase approximation. In order to assess its accuracy and reliability, the theory is employed to find the structure and thermodynamics of hard-core Yukawa fluids. The new resulted optimized second order random phase approximation (OSORPA) is shown to be a little more accurate than the optimized random phase approximation in finding the thermodynamic properties, but it performs much better in predicting the static structure factor of hard-core Yukawa potentials.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 386, 25 January 2015, Pages 75–81
نویسندگان
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