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Interfacial properties of the brine + carbon dioxide + oil + silica system

卤水 烷烃 己烷 碳氢化合物 疏水二氧化硅 化学工程 表面张力 化学 润湿 材料科学 色谱法 有机化学 复合材料 热力学 工程类 物理
作者
Yafan Yang,Arun Kumar Narayanan Nair,Denvid Lau,Shuyu Sun
出处
期刊:Journal of Chemical Physics [American Institute of Physics]
卷期号:160 (11) 被引量:4
标识
DOI:10.1063/5.0197087
摘要

Molecular dynamics simulations of the H2O + CO2 + aromatic hydrocarbon and H2O + CO2 + benzene + silica (hydrophilic) systems are performed to gain insights into CO2-enhanced oil recovery (EOR) processes. For comparison purposes, an overview of the previous simulation studies of the interfacial properties of the brine + CO2 + alkane + silica system is also presented. In general, the water contact angle (CA) of the H2O + CO2 + silica (hydrophilic) system increased with pressure and decreased with temperature. The CAs of the H2O + hydrocarbon + silica (hydrophilic) system are not significantly affected by temperature and pressure. The simulated CAs were in the ranges of about 58°–77° and 81°–93° for the H2O + hexane + silica (hydrophilic) and the H2O + aromatic hydrocarbon + silica (hydrophilic) systems, respectively. In general, these CAs were not significantly influenced by the addition of CO2. The simulated CAs were in the ranges of about 51.4°–95.0°, 69.1°–86.0°, and 72.0°–87.9° for the brine + CO2 + silica (hydrophilic), brine + hexane + silica (hydrophilic), and brine + CO2 + hexane + silica (hydrophilic) systems, respectively. All these CAs increased with increasing NaCl concentration. The adhesion tension of the brine + silica (hydrophilic) system in the presence of CO2 and/or hexane decreased with increasing salt concentration. The simulated CAs were in the range of about 117°–139° for the H2O + alkane + silica (hydrophobic) system. These CAs are increased by the addition of CO2. At high pressures, the distributions of H2O normal to the silica (hydrophobic) surface in the droplet region of the H2O + silica system were found to be strongly affected by the presence of CO2. These insights might be key for optimizing the performance of the miscible CO2 water-alternating-gas injection schemes widely used for EOR.
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