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首页> 外文期刊>Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers >Density and phase equilibrium for ice and structure I hydrates using the Gibbs-Helmholtz constrained equation of state
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Density and phase equilibrium for ice and structure I hydrates using the Gibbs-Helmholtz constrained equation of state

机译：密度和冰和相平衡我用吉布斯-亥姆霍兹水合物结构约束状态方程

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摘要

A new, rigorous framework centered around the multi-scale GHC equation of state is presented for predicting bulk density and phase equilibrium for light gas-water mixtures at conditions where hexagonal ice and structure I hydrate phases can exist. The novel aspects of this new framework include (1) the use of internal energies of departure for ice and empty hydrate respectively to determine densities, (2) contributions to the standard state fugacity of water in ice and empty hydrate from lattice structure, (3) computation of these structural contributions to standard state fugacity from compressibility factors and EOS parameters alone, and (4) the direct calculation of gas occupancy from phase equilibrium. Numerical results for densities and equilibrium for systems involving ice and/or gas hydrates predicted by this GHC-based framework are compared to predictions of other equations of state, density correlations, and experimental data where available. Results show that this new GHC-based EOS framework accurately predicts the densities of hexagonal water ice and structure I gas hydrates as well as phase equilibrium for methane-water and CO2-water mixtures. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
机译：围绕着一个全新的、严格的框架提出了多尺度GHC的状态方程预测体积密度和相平衡轻气水混合物在条件我水合物阶段可以六角冰与结构存在。包括(1)的内部能量的使用分别离开冰和空的水合物确定密度,(2)贡献标准状态不安定的水冰和空的水合物晶格结构,(3)计算这些标准结构的贡献从压缩因子和状态不安定EOS参数,和(4)的直接计算气体入住率的阶段平衡。平衡系统涉及冰和/或气体由这个GHC-based水合物预测框架比较其他的预测方程的状态、密度相关性和实验数据可用。准确地预测GHC-based EOS框架我六角水冰的密度和结构天然气水合物的相平衡methane-water和CO2-water混合物。化学工程师的机构。由爱思唯尔帐面价值保留所有权利。

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