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Theory of Dissociation Pressures of Some Gas Hydrates

McKoy, V. and Sinanoğlu, O. (1963) Theory of Dissociation Pressures of Some Gas Hydrates. Journal of Chemical Physics, 38 (12). pp. 2946-2956. ISSN 0021-9606. doi:10.1063/1.1733625.

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Dissociation pressures of some gas hydrates have been evaluated using the Lennard‐Jones 12–6, 28–7, and Kihara potentials in the Lennard‐Jones‐Devonshire cell model. The Lennard‐Jones 28–7 potential gives the least satisfactory results. The Lennard‐Jones 12–6 potential works satisfactorily for the monatomic gases and CH_4 but poorly for the rodlike molecules C_2H_6, CO_2, N_2, O_2, C_2H_4. This failure may be due to (i) distortions of the hydrate lattice, (ii) neglect of molecular shape and size in determining the cavity potential (iii) barrier to internal rotation of the molecule in its cavity. A crude model for the lattice shows that it is not distorted. The Kihara potential predicts better dissociation pressures for the hydrates of the rodlike molecules. Unlike the previously used Lennard‐Jones 12–6 potential, it depends on the size and shape of the interacting molecules. The absence of lattice distortions, improved dissociation pressures through the use of the Kihara potential and the restriction of the motion of the solute molecule to around the center of a cavity makes a large barrier to rotation unlikely. A small barrier may still be present.

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Additional Information:© 1963 American Institute of Physics. (Received 20 July 1961) Work supported by a research grant from the National Science Foundation (NSF G-18895). Union Carbide Corporation Fellow 1962-63. Alfred P. Sloan Fellow.
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Union Carbide CorporationUNSPECIFIED
Alfred P. Sloan FoundationUNSPECIFIED
Issue or Number:12
Record Number:CaltechAUTHORS:20151028-114743147
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Official Citation:Theory of Dissociation Pressures of Some Gas Hydrates McKoy, V. and Sinanoğlu, O., The Journal of Chemical Physics, 38, 2946-2956 (1963), DOI:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61687
Deposited By: George Porter
Deposited On:28 Oct 2015 20:38
Last Modified:10 Nov 2021 22:52

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