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Phase equilibrium modeling for interfacial tension of confined fluids in nanopores using an association equation of state
The Journal of Supercritical Fluids ( IF 3.4 ) Pub Date : 2021-06-11 , DOI: 10.1016/j.supflu.2021.105322
Yu-Long Zhao , Wei Xiong , Lie-Hui Zhang , Jian-Hua Qin , Shi-lin Huang , Jing-Jing Guo , Xiao He , Jian-Fa Wu

Two novel interfacial tension (IFT) models are presented, and four thermodynamic models—CPA-G, PCPA-G, CPA-P, and PCPA-P—based on the cubic-plus-association (CPA) equation of state and four IFT models are presented to predict the IFTs of fluids in bulk and nanopores. Among three association schemes of H2S that were studied, the 0d-1a association scheme is suitable for predicting mutual solubility of H2S-H2O system. The CPA-G and PCPA-G models can accurately describe the IFTs of H2S-H2O, CO2-H2O, CO2-n-C10H22, and CH4-n-C10H22 systems, whereas the CPA-P and PCPA-P models are inappropriate for IFTs of systems containing H2O. The IFTs of confined fluids in nanopores are lower than those in bulk. Under the same condition, IFTs of confined fluids decrease with an increase in pressure, but increase with the pore radius. Further, the effects of nanoconfinement for IFTs of confined fluids mainly occur at a pore radius below 100 nm.



中文翻译:

使用状态关联方程对纳米孔中受限流体的界面张力进行相平衡建模

提出了两种新的界面张力 (IFT) 模型,以及基于三次加缔合 (CPA) 状态方程和四个 IFT 的四种热力学模型——CPA-G、PCPA-G、CPA-P 和 PCPA-P提出了模型来预测体液和纳米孔中流体的 IFT。在研究的三种H 2 S缔合方案中,0d-1a 缔合方案适用于预测H 2 S-H 2 O 系统的互溶度。CPA-G 和 PCPA-G 模型可以准确描述 H 2 S-H 2 O、CO 2 -H 2 O、CO 2 - n -C 10 H 22和 CH 4 - 的IFTn -C 10 H 22系统,而CPA-P 和PCPA-P 模型不适用于含H 2 O系统的IFT。纳米孔中封闭流体的IFT 低于散装流体的IFT。在相同条件下,封闭流体的IFTs随着压力的增加而减小,但随着孔隙半径的增加而增加。此外,纳米限制对受限流体的 IFT 的影响主要发生在小于 100 nm 的孔隙半径处。

更新日期:2021-06-18
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