شماره ركورد كنفرانس :
4518
عنوان مقاله :
Molecular Simulation of the Structure of Methane Hydrate Using the Wolf Method
Author/Authors :
Alireza Sadeghifar Department of Chemical Engineering - Amirkabir University of Technology , Mitra Dadvar Department of Chemical Engineering - Amirkabir University of Technology , Safoora Karimi Department of Chemical Engineering - Amirkabir University of Technology
كليدواژه :
Methane Hydrate , Monte Carlo Simulation , Electrostatic Interactions , The Wolf Method
عنوان كنفرانس :
The 7th International Chemical Engineering Congress & Exhibition (IChEC 2011
چكيده لاتين :
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 simpler
mathematically than the Ewald sum final equation. Simulation results show very good agreement
with those obtained by the Ewald method published in the open literature.
