Density and phase equilibrium for ice and structure I hydrates using the Gibbs–Helmholtz constrained equation of state

作者: Heath Henley , Edward Thomas , Angelo Lucia

DOI: 10.1016/J.CHERD.2014.06.011

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摘要: a b s t r c A new, rigorous framework centered around the multi-scale GHC equation of state is presented for predicting bulk density and phase equilibrium light gas–water mixtures at conditions where hexagonal ice structure I hydrate phases can exist. The novel aspects this new include (1) use internal energies departure empty respectively to determine densities, (2) contributions standard fugacity water in from lattice structure, (3) computation these structural compressibility factors EOS parameters alone, (4) direct calculation gas occupancy equilibrium. Numerical results densities systems involving and/or hydrates predicted by GHC-based are compared predictions other equations state, correlations, experimental data available. Results show that accurately predicts as well methane–water CO2–water mixtures. © 2014 Institution Chemical Engineers. Published Elsevier B.V. All rights reserved.

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