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Molecular Simulation Study of Rock-Water-Oil Systems

岩-水-油体系的分子模拟研究

基本信息

批准号：
1705620
负责人：
Jeffrey Errington
金额：
$ 30万
依托单位：
SUNY at Buffalo
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-01-15 至 2021-12-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1705620&HistoricalAwards=false
关键词：
Molecular Simulation Study Rock Water

项目摘要

Oil recovery is an important world-wide enterprise with significant social, economic, and environmental impacts. When oil is extracted from an underground reservoir, only about 10% is removed via pressure and pumping. Secondary and tertiary recovery methods are used to extract the remainder of the oil, and these involve physical and chemical stimulation of the oil well, respectively. One such stimulation technique is the injection of a high salinity brine or surfactants (soaps) into the subsurface. These chemicals not only displace the oil, but also alter the chemical interaction, or "wetting", of the oil with subsurface rock. Decreasing the chemical interaction by which the rock "holds onto" the oil facilitates oil recovery. How wetting behavior evolves with changing reservoir conditions is not fully understood. This project uses computational tools to probe molecular interactions that dictate the wetting behavior and to elucidate the connection between the larger environment of the reservoir with the microscopic details of the rock, oil and brine/surfactant. This research project uses molecular simulations to probe wetting phenomena, including molecular interactions at the brine-oil and brine-mineral interface. These interfacial properties are known to affect capillary pressure, which is the key determinant in the wettability of porous rock. The project also quantifies the extent to which acids, bases, and asphaltenes adsorb onto the rock surface, and the potential of this adsorption to change both rock surface chemistry and rock-brine-oil interfacial interactions. The extent to which wettability evolves with temperature, surface concentration, and the chemical identity of the surface will elucidate how wettability evolves with changing reservoir conditions. The role of surfactants in altering interfacial interactions is also being explored. As this system is quite complex, the project goal is to develop quantitative relationships that connect macroscopic properties to microscopic structure. These relationships will enable the rational design of safe, efficient, and environmentally friendly solutions for oil extraction. Students are being trained on surface thermodynamics, statistical mechanics, and computer simulations. Outreach activities to area high schools are educating students about the impact of engineering studies on society and everyday life.

石油开采是一项重要的全球性企业，具有重大的社会、经济和环境影响。当石油从地下水库中提取时，只有大约10%通过压力和泵送被移除。二次和三次采油方法用于提取剩余的石油，这些方法分别涉及油井的物理和化学刺激。一种此类增产技术是将高盐度盐水或表面活性剂（肥皂）注入地下。这些化学物质不仅驱替石油，而且还改变石油与地下岩石的化学相互作用或“润湿”。减少岩石“吸附”石油的化学作用有利于石油开采。润湿行为如何随着油藏条件的变化而演变还没有完全了解。该项目使用计算工具来探测决定润湿行为的分子相互作用，并阐明储层的大环境与岩石，石油和盐水/表面活性剂的微观细节之间的联系。该研究项目使用分子模拟来探测润湿现象，包括盐水-油和盐水-矿物界面的分子相互作用。已知这些界面性质影响毛细管压力，毛细管压力是多孔岩石润湿性的关键决定因素。该项目还量化了酸、碱和沥青质吸附到岩石表面的程度，以及这种吸附改变岩石表面化学和岩石-盐水-油界面相互作用的潜力。润湿性随温度、表面浓度和表面化学特性的变化程度将阐明润湿性如何随油藏条件的变化而变化。表面活性剂在改变界面相互作用中的作用也正在探索中。由于该系统相当复杂，项目目标是开发将宏观特性与微观结构联系起来的定量关系。这些关系将使石油开采的安全，高效和环保的解决方案的合理设计。学生正在接受表面热力学，统计力学和计算机模拟的培训。对地区高中的外联活动正在教育学生了解工程研究对社会和日常生活的影响。