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گواهی نمایه سازی مقاله Molecular Simulation of the Structure of Methane Hydrate Using the Wolf Method

عنوان مقاله: Molecular Simulation of the Structure of Methane Hydrate Using the Wolf Method
شناسه (COI) مقاله: ICHEC07_496
منتشر شده در هفتمین کنگره ملی مهندسی شیمی در سال ۱۳۹۰
مشخصات نویسندگان مقاله:

alireza sadeghifar - Corresponding Author Address: Department of Chemical Engineering, Amirkabir University of Technology, No.472, Hafez Ave., Tehran, Iran
mitra dadvar -
safoora karimi -

خلاصه مقاله:
In this article, the structure of methane hydrate is predicted at the formation pressure and temperature using Monte Carlo molecular simulation. Electrostatic long-range interactions are calculated using the Wolf method. The most common method used for handling long-range interactions in simulating methane hydrates is the Ewald sum method. The Wolf method is less expensive than the Ewald sum in computational cost. The final equation is also much simplermathematically than the Ewald sum final equation. Simulation results show very good agreement with those obtained by the Ewald method published in the open literature.

کلمات کلیدی:
Methane Hydrate, Monte Carlo Simulation, Electrostatic Interactions, The Wolf Method

صفحه اختصاصی مقاله و دریافت فایل کامل: https://www.civilica.com/Paper-ICHEC07-ICHEC07_496.html