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首页> 外文期刊>Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers >Influence of combining rules on the cavity occupancy of clathrate hydrates using van der Waals-Platteeuw-theory-based modelling
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Influence of combining rules on the cavity occupancy of clathrate hydrates using van der Waals-Platteeuw-theory-based modelling

机译：结合规则腔的影响入住率的包合物使用van der水合物Waals-Platteeuw-theory-based造型

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摘要

In the current study, we report an extensive series of thermodynamic calculations using continuum-level models based on the van der Waals-Platteeuw theory. The calculations are performed along the three phase hydrate-liquid water-vapor (H-L-W-V) or hydrate-ice-vapor (H-I-V) equilibrium curve for a number of gases of industrial interest (e.g., methane, ethane, propane, nitrogen and carbon dioxide). We examine the effect of deviations from the classical Lorentz-Berthelot combining rules on the hydrate equilibrium conditions as well as the cavity occupancy of the hydrates and work towards quantifying it. Hydrate equilibrium predictions have a very strong sensitivity to deviations, while cavity occupancies exhibit a weaker sensitivity. Furthermore, the sensitivity is stronger on the small cavities compared to the case of the large cavities. Model calculations are compared against experimental data for selected systems with reasonable agreement. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
机译：在当前的研究中,我们报告一个广泛一系列的热力学计算使用根据范德continuum-level模型Waals-Platteeuw理论。沿着三相hydrate-liquid执行水蒸气(H-L-W-V)或hydrate-ice-vapor(H-I-V)平衡曲线的气体工业利益(如甲烷,乙烷,丙烷、氮气和二氧化碳)。偏离传统的影响在水合物Lorentz-Berthelot结合规则平衡条件以及谐振腔入住率的水合物和努力量化。偏差有很强的敏感性,而腔入住率较弱敏感度。更强的小蛀牙相比的大洞。对实验数据进行比较吗选择系统合理的协议。2014年,化学工程师学会。爱思唯尔出版的帐面价值保留所有权利。

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