Paper Title:
Effects of Occupation of the Cages on Thermodynamic Stability of SI CO2 Clathrate Hydrate
  Abstract

Molecular dynamics simulations are carried out to investigate the effect of the occupation of the cages on the stability of sI CO2 hydrates. Three types of cage occupations are concerned. The TIP4P/EPM2/DUAN potential models are used for the water-water, CO2-CO2, water-CO2 intermolecular interactions. The simulation results show that the occupation of the large cage is preferable compared to the occupation of the small cage. It may be induced that the hydration number of sI CO2 hydrates is mostly to be 9.

  Info
Periodical
Advanced Materials Research (Volumes 295-297)
Chapter
Chapter 1: Materials Properties
Edited by
Pengcheng Wang, Liqun Ai, Yungang Li, Xiaoming Sang and Jinglong Bu
Pages
1505-1509
DOI
10.4028/www.scientific.net/AMR.295-297.1505
Citation
Y. X. Qi, H. Zhang, S. X. Zhao, "Effects of Occupation of the Cages on Thermodynamic Stability of SI CO2 Clathrate Hydrate", Advanced Materials Research, Vols. 295-297, pp. 1505-1509, 2011
Online since
July 2011
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Price
$32.00
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