کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5411852 1506583 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structure of discrete-potential fluids interacting via two piece-wise constant potentials with a hard-core
ترجمه فارسی عنوان
ساختار مایعات بالقوه گسسته که از طریق دو پتانسیل دائمی ثابت با هسته سخت متصل می شوند
کلمات کلیدی
افزایش دما معکوس، مایع پتانسیل گسسته، عملکرد توزیع شعاعی، تابع همبستگی مستقیم،
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
چکیده انگلیسی


- Propose the inverse temperature method based on the power series
- Calculate the structure of two piece-wise discrete potential fluids
- An inverse temperature method is the most successful for the square-shoulder type fluid.

The structure of fluids whose molecules interact via potentials with a hard-core plus two piece-wise constant sections of different widths and heights has been studied by the perturbation theory based on the power series of an inverse temperature. The perturbation theory based on the reference system which incorporates both the repulsive and attractive potentials predicts accurate radial distribution function and direct correlation function of the discrete-potential fluids for the whole density regions. In particular, it is the most successful for the square-shoulder plus square-shoulder fluid and shifted square-shoulder fluid with a purely repulsive potential rather than the square-well plus square-well fluids with an attractive potential. It is found that the present theory predicts a more accurate structure than the rational-function approximation and conventional integral equations such as Percus-Yevick and hypernetted-chain theories in most of the cases.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 187, November 2013, Pages 326-331
نویسندگان
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