A new method for Monte Carlo simulation of chain molecules with soft potentials

Publish Year: 1386
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:

ICHEC05_256

تاریخ نمایه سازی: 7 بهمن 1386

Abstract:

A new Monte Carlo simulation for chain molecules with the soft potential, Lennard-Jones, with novel boundary conditions is presented. The new method is more accurate in prediction PVT behavior of chain molecules in comparison with other simulations and analytical Equation of states. The accuracy of obtained data is also examined with experimental data of chain molecules with similar molecular parameters. A Configurational Biased Monte Carlo algorithm (CBMC) is developed in a new manner for hydrocarbons from C1 up toC7 and for C7 to C10 the recoil growth (RG) method is also applied to increase simulation speed.

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Authors

Nima Shayanmehr

and Gas Center of Excellence, Department of Chemical Engineering, Faculty of Engineering, University of Tehran, Tehran, Iran

Mohsen Edalat

and Gas Center of Excellence, Department of Chemical Engineering, Faculty of Engineering, University of Tehran, Tehran, Iran

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