کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5413641 1506633 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Derivation of a simple coordination number model using a given equation of state and the effective pair potential function
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Derivation of a simple coordination number model using a given equation of state and the effective pair potential function
چکیده انگلیسی
In this work, a simple coordination number (C.N.) model for the (9, 3) Lennard-Jones (LJ) fluid is obtained. It is based on the comparison of the internal pressure derived from a given equation of state (EoS) with the internal pressure derived from the (9, 3) LJ fluid as an effective pair potential (EPP). This model reproduces well the thermodynamic properties of the fluid such as internal energy, and the C.N. which is comparable with the Monte Carlo simulation data for the C.N. in the high-density region. In addition, the obtained C.N. can predict the first shell radial distribution function, g(r), of the fluid as well.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 130, Issues 1–3, 15 January 2007, Pages 38-41
نویسندگان
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