Improved thermodynamic parameters for prediction of structure H hydrate equilibria

An improved set of all the thermodynamic and molecular properties required for the prediction of the existing 20 systems of Structure H (sH) hydrate phase equilibrium data is presented. The statistical thermodynamics model was based on the van der Waals and Platteeuw theory, and the spherical core K...

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Published in:AIChE journal 1996-07, Vol.42 (7), p.2036-2046
Main Authors: Mehta, Ajay P., Sloan, E. Dendy
Format: Article
Language:English
Subjects:
Chemical thermodynamics
Chemistry
Elements, mineral and organic compounds
Exact sciences and technology
General and physical chemistry
Thermodynamic properties
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description An improved set of all the thermodynamic and molecular properties required for the prediction of the existing 20 systems of Structure H (sH) hydrate phase equilibrium data is presented. The statistical thermodynamics model was based on the van der Waals and Platteeuw theory, and the spherical core Kihara potential was used for guest‐water interactions. Optimized Kihara parameters and reference thermodynamic properties were derived from experimental data of over 20 sH hydrate forming systems. The model could fit all the existing sH hydrate data within an accuracy of ± 6%. Inhibitor predictions were also shown to fit recent data with no adjustable parameters. The feasibility of using hydrate cage occupancies to derive refined Kihara parameters of the guest molecules was investigated. Possible existence of sH hydrates at cryogenic temperatures was also established based on the model.
doi_str_mv 10.1002/aic.690420724
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subjects Chemical thermodynamics
Chemistry
Elements, mineral and organic compounds
Exact sciences and technology
General and physical chemistry
Thermodynamic properties
title Improved thermodynamic parameters for prediction of structure H hydrate equilibria
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