Miscibility Process of Hydrocarbon Mixture Gas and Crude Oil: Insights from Molecular Dynamics,Industrial & Engineering Chemistry Research

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Miscibility Process of Hydrocarbon Mixture Gas and Crude Oil: Insights from Molecular Dynamics
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2021-09-13 , DOI: 10.1021/acs.iecr.1c01392
Shaohua Zhu ₁ , Hongwei Yu ₂ , Gengping Yan ₃ , Jun Li ₃ , An Cao ₃ , Chengzhen Sun ₁

Affiliation

Using molecular dynamics simulations, we investigate the miscibility process of hydrocarbon mixture gas and crude oil in Tarim Oilfield, which was not well understood from the microscopic points of view. The results show that the increase of the pressure of hydrocarbon mixture gas is favorable for the gas–oil miscibility until the interfaces vanish under a minimum miscible pressure (MMP). The identified MMP (37.3 MPa) is well consistent with the experimental value. With increasing gas pressure, the parallel diffusion coefficients of gas molecules in the gas–oil interfaces decrease, while the perpendicular ones increase. We also analyze the profiles of potential of mean force between different gas and various oil components, identifying the components which dominate the process of gas–oil miscibility from the perspective of molecular forces. In addition, the introduction of gravity in gas flooding slightly increases the MMP. These results can guide the optimization and design of the enhanced oil recovery technology with hydrocarbon mixture gas flooding.

中文翻译：

烃类混合气和原油的混溶过程：分子动力学的见解

我们利用分子动力学模拟研究了塔里木油田油气混合气与原油的混相过程，这一过程从微观角度尚不清楚。结果表明，烃类混合气压力的增加有利于油气混相，直到界面在最小混相压力（MMP）下消失。确定的 MMP (37.3 MPa) 与实验值非常一致。随着气压的增加，气油界面中气体分子的平行扩散系数减小，而垂直方向的扩散系数增大。我们还分析了不同气和各种油组分之间平均力势的分布，从分子力的角度确定了主导油气混溶过程的组分。此外，在气驱中引入重力会略微增加 MMP。这些结果可以指导烃类混合气驱提高采收率技术的优化设计。

更新日期：2021-09-22

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