A new set of gas-structure-dependent parameters to improve gas hydrate equilibrium calculations and structure descriptions by van der Waals-Platteeuw model

被引:0
作者
Chen, Xin [1 ,2 ]
Li, Lei [1 ,3 ]
Yang, Qian [4 ]
Zhang, Qian [1 ,2 ]
Shen, Yijun [1 ,2 ]
Xiao, Juanxiu [1 ,2 ]
机构
[1] Hainan Univ, Sch Marine Sci & Engn, Haikou 570228, Peoples R China
[2] Hainan Univ, State Lab Marine Resource Utilizat South China Sea, Haikou 570228, Peoples R China
[3] Hainan Univ, Sch Mech & Elect Engn, Haikou 570228, Peoples R China
[4] Taylors Univ, Sch Comp Sci, Subang Jaya 47500, Malaysia
基金
中国国家自然科学基金;
关键词
Gas hydrate equilibria; van der Waals-Platteeuw model; Gas-structure-dependent Kihara potential; parameters; Hydrate structure transitions; Parameter optimization procedure; DISSOCIATION PRESSURES; GENERALIZED-MODEL; PHASE EQUILIBRIA; NEXT-GENERATION; FUGACITY MODEL; ALPHA-FUNCTION; METHANE; PREDICTION; EQUATION; ETHANE;
D O I
10.1016/j.ces.2024.120832
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The traditional Kihara potential parameters employed in the van der Waals-Platteeuw (vdW-P) model were only related to the species of hydrate-forming gases. Although our previous study (Chemical Engineering Science 248, 117213) proposed a framework for optimizing the gas-dependent Kihara potential parameters in vdW-P model to improve the hydrate equilibrium calculations, the predictions for hydrate structures are barely satisfactory. Thus, this study provides a new set of Kihara potential parameters which are dependent on not only the gas species but also the hydrate structures. With the constraints on hydrate structure changes, a novel procedure for fitting the gas-structure-dependent parameters is developed. The calculation results show that the newly obtained parameters improve the performances of vdW-P model in predicting the hydrate equilibria for the pure-gas and gasmixture systems. Besides, the vdW-P model coupled with gas-structure-dependent parameters can provide reliable temperature-composition phase diagrams and properly identify the crystalline structures for various gas hydrates.
引用
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页数:14
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