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Phase equilibrium modeling for confined fluids in nanopores using an association equation of state
The Journal of Supercritical Fluids ( IF 3.9 ) Pub Date : 2020-11-19 , DOI: 10.1016/j.supflu.2020.105118
Wei Xiong , Yu-Long Zhao , Jian-Hua Qin , Shi-Lin Huang , Lie-Hui Zhang

The conventional cubic‒plus‒association equation of state (CPA EoS) is extended to describe the phase behavior of non‒associating and associating fluids in nanopores. To consider the effects of molecule‒wall interaction, a new pressure term was introduced into the CPA EoS. The modified Laplace equation was used to describe the capillary condensation in confined space. A thermodynamic model, i.e., mCPA/Laplace, based on modified CPA EoS and Laplace equation was presented. Furthermore, while correlations among the tensile strength, fluid critical point, and liquid spinodal point were discussed, the negative pressure for the mCPA/Laplace and mSRK models was studied. The calculations of the mCPA/Laplace model for pure O2, Ar, N2, Kr, CO2, C2H6, C3H8, n‒C4H10, n‒C5H12, n‒C6H14, n‒C7H16 and certain binary mixtures agreed with experimental data. Using the parameter database from the experimental data, this promising study can be extended to both shale oil and shale gas.



中文翻译:

使用状态缔合方程对纳米孔中的受限流体进行相平衡建模

扩展了传统的立方加缔合状态方程(CPA EoS),以描述纳米孔中非缔合和缔合流体的相行为。为了考虑分子与壁相互作用的影响,在CPA EoS中引入了新的压力项。修改后的拉普拉斯方程用于描述有限空间中的毛细管凝结。提出了基于改进的CPA EoS和Laplace方程的mCPA / Laplace热力学模型。此外,虽然讨论了抗拉强度,流体临界点和液体旋节点之间的相关性,但对mCPA / Laplace和mSRK模型的负压进行了研究。纯O 2,Ar,N 2,Kr,CO 2,C 2的mCPA / Laplace模型的计算H 6,C 3 H 8n C 4 H 10n C 5 H 12n C 6 H 14n C 7 H 16和某些二元混合物与实验数据相符。利用实验数据中的参数数据库,这项有前途的研究可以扩展到页岩油和页岩气。

更新日期:2020-12-01
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