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Thermodynamic Stability of Hydrates for Ethane, Ethylene, and Carbon Dioxide

Authors: Bjorn Kvamme; Hideki Tanaka;

Thermodynamic Stability of Hydrates for Ethane, Ethylene, and Carbon Dioxide

Abstract

Abstract published in Advance ACS Abstracts, April 1, 1995. 0022-365419512099-7 1 14$09.0010 oscillator approach will account for guest-water interactions as well as effects of guest movements on the chemical potential of water. In this work we extend these studies to simplified models of some larger molecules filling the large cavity of structure I. As in previous studies guest molecules are still modeled as spherical Lennard-Jones 12-6 particles. Chosen parameters correspond to previously published parameters applied to represent proper- ties of methane, ethane, ethylene, and carbon dioxide. Calcula- tions have been performed for several temperatures in the region of experimentally measured equilibrium between hydrate and ice, Le., up to a temperature of 273.15 K. A brief summary of the theory is given in section 2. The results obtained from the harmonic oscillator approach and the single-particle integrations are summarized in section 3. Cal- culated dissociation pressures for hydrate in equilibrium with ice are presented in section 4 and compared to experimental data. In section 5 we extrapolate these data to the region of hydrate in equilibrium with liquid water and compare derived results with experimental data. In section 6 we present some calculations for binary mixtures. Our conclusions are given in section 7.

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
115
Top 1%
Top 1%
Average