Theoretical Insight into the Effect of Steam Temperature on Heavy Oil/Steam Interface Behaviors Using Molecular Dynamics Simulation

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  • 1. State Key Laboratory of Offshore Oil Exploitation, Beijing 100028, China
    2. Beijing Key Laboratory of Process Fluid Filtration and Separation, College of Mechanical and Transportation Engineering, China University of Petroleum-Beijing, Beijing 102249, China
    3. CNOOC Research Institute Ltd., Beijing 100028, China

网络出版日期: 2023-11-26

基金资助

This work was supported by the Open Fund (CCL2021RCPS0518KQN) of State Key Laboratory of Offshore Oil Exploitation.

版权

Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer Nature 2023

Theoretical Insight into the Effect of Steam Temperature on Heavy Oil/Steam Interface Behaviors Using Molecular Dynamics Simulation

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  • 1. State Key Laboratory of Offshore Oil Exploitation, Beijing 100028, China
    2. Beijing Key Laboratory of Process Fluid Filtration and Separation, College of Mechanical and Transportation Engineering, China University of Petroleum-Beijing, Beijing 102249, China
    3. CNOOC Research Institute Ltd., Beijing 100028, China

Online published: 2023-11-26

Supported by

This work was supported by the Open Fund (CCL2021RCPS0518KQN) of State Key Laboratory of Offshore Oil Exploitation.

Copyright

Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer Nature 2023

摘要

稠油与蒸汽之间的界面行为是影响注蒸汽开发稠油效率的重要问题之一。然而,在高温高压下稠油和蒸汽之间相互作用机制仍不清晰。本文采用分子动力学模拟方法研究了高温高压下稠油液滴与蒸汽界面间分子尺度相互作用机理。结果表明,稠油相与蒸汽相之间的界面厚度随着温度的升高而逐渐增加、界面张力不断降低。分析表明,高温会破坏重质组分与蒸汽之间氢键,导致稠油液滴和蒸汽相之间的相互作用能量降低。径向分布函数结果也发现稠油组分和蒸汽相之间的相互作用因高温而减弱。此外,通过二维密度云图可以直接观察到不同温度下界面的演化,均方位移和自扩散系数证明了稠油各组分与蒸汽的演化机制。特别是界面处存在沥青质时更有可能实现高扩散性和乳化能力。本研究为理解注蒸汽开发过程中稠油与蒸汽之间界面相互作用机制提供了分子水平理解。

本文引用格式

YANG Renfeng, CHEN Dongsheng, ZHENG Wei, MIAO Tingting, LIU Fan, WANG Taichao, CHEN Hengyuan, CHENG Tong . Theoretical Insight into the Effect of Steam Temperature on Heavy Oil/Steam Interface Behaviors Using Molecular Dynamics Simulation[J]. 热科学学报, 2023 , 32(6) : 2179 -2195 . DOI: 10.1007/s11630-023-1838-3

Abstract

The interfacial behavior between heavy oil and steam is one of the vital pointers affecting the development efficiency of steam injection for heavy oil recovery. However, the underlying mechanisms of the interaction between heavy oil and steam at high temperature and pressure remain elusive. Herein, we have investigated the molecular-scale interactions on the interface between heavy oil droplet and steam phase at high temperatures (473 K, 498 K, 523 K, and 548 K) via molecular dynamics simulations. The results show that the interfacial thickness between heavy oil droplet and steam phase increases gradually with temperature, while the interfacial tension decreases constantly. Moreover, high temperature can damage hydrogen bonds, resulting in lower interaction energy between heavy oil droplet and steam phase. The radial distribution function results demonstrate that the interaction between heavy oil fractions and steam phase can be weakened by high temperature. Furthermore, the evolutions of interface are directly observed by the two-dimension density cloud maps at different temperatures, and the mean square displacement and self-diffusion coefficient demonstrate the evolution mechanism of heavy oil fractions and steam. In particular, the heavy oil/steam systems with asphaltenes at the interface are more likely to achieve high diffusivity and emulsifying capacity. This work provides a molecular-level insight for understanding the interfacial interaction mechanisms of heavy oil/steam systems during a steam injection process.

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