JSME International Journal Series B Fluids and Thermal Engineering
Online ISSN : 1347-5371
Print ISSN : 1340-8054
ISSN-L : 1340-8054
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Monte Carlo Approach to Structure and Thermodynamic Property of CO2 Hydrate
Masahiro OTAMohammad FERDOWS
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2005 Volume 48 Issue 4 Pages 802-809

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Abstract

Monte Carlo simulations have been carried out for the clathrate hydrate of CO2 hydrates. In this study, we investigate the structure and statistical thermodynamic property of CO2 hydrates at temperatures ranging from 150 to 288[K] and at a pressure of up to 50[MPa] under constant temperature and pressure conditions. We have found that the hydrate structure can be maintained at approximately 283[K]. The thermodynamic property of density reflects the cage occupancy of the guest molecules and enthalpy increases with increasing temperature. Through our MC simulations, we also clarified hydrate and nonhydrate dividing lines by comparing them with other researchers’ experimental results.

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© 2005 by The Japan Society of Mechanical Engineers
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