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A theoretical prediction of cage occupancy and heat of dissociation of THF-CH4 hydrate

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Abstract

This work presents a theoretical prediction of the cage occupancy of CH4 in small cages and the heat of dissociation for THF-CH4 hydrate using the predictive Soave-Redlich-Kwong group contribution method combined with the UNIFAC model. The predicted cage occupancy of CH4 gradually increases with increasing pressure, indicating that the CH4 molecules could readily be encaged in the small 512 cages of the sII hydrate framework stabilized by THF molecules. The molar enthalpy of encagement of CH4 in the small 512 cages of the sII clathrate hydrate is estimated to be 26.7±1.7 kJ mol−1.

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Authors and Affiliations

  1. Department of Energy and Resources Engineering, Korea Maritime University, Busan, 606-791, Korea

    Ji-Ho Yoon

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  1. Ji-Ho Yoon
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Correspondence to Ji-Ho Yoon.

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Yoon, JH. A theoretical prediction of cage occupancy and heat of dissociation of THF-CH4 hydrate. Korean J. Chem. Eng. 29, 1670–1673 (2012). https://doi.org/10.1007/s11814-012-0137-6

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  • DOI: https://doi.org/10.1007/s11814-012-0137-6

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