高岭石基面润湿性的分子模拟研究  

Molecular Simulation Study on Wettability of Basal Surface of Kaolinite

作　　者：张雅怡 ZHANG Yayi(Department of Earth Science and Engineering,Shanxi Institute of Technology,Yangquan 045000,China)

机构地区：[1]山西工程技术学院地球科学与工程系,山西阳泉045000

出　　处：《山东化工》2024年第21期60-63,共4页Shandong Chemical Industry

摘　　要：高岭石是油气储层中一种常见的黏土矿物,其润湿性与油气的开采率密切相关。为了研究高岭石的润湿性,通过分子动力学和蒙特卡洛模拟方法,利用Materials Studio软件计算高岭石的羟基面和硅氧面在不同温度下的润湿性。结果表明:羟基面中的氢原子和水中的氧原子之间形成了大量较强的氢键,使得羟基面的润湿性较硅氧面更强;羟基面和硅氧面的润湿性均随温度的升高而降低,即降低温度可以改善高岭石的润湿性,从而提高油气的开采率。Kaolinite is a common clay mineral in oil and gas reservoirs,and its wettability is closely related to the recovery rate of oil and gas.In order to study the wettability of kaolinite,Materials Studio software was used to calculate the wettability of hydroxyl surface and silicon oxygen surface of kaolinite at different temperatures through molecular dynamics and Monte Carlo simulation methods.The results showed that a large number of strong hydrogen bonds were formed between the hydrogen atoms in hydroxyl surface and the oxygen atoms in water,making the wettability of hydroxyl surface stronger than that of silicon oxygen surface.The wettability of both hydroxyl surface and silicon oxygen surface decreased with increasing temperature,that is,decreasing temperature could improve the wettability of kaolinite,thereby increasing the recovery rate of oil and gas.

关 键 词：高岭石 羟基面 硅氧面 水 润湿性 分子模拟 

分 类 号：TQ015.9[化学工程] P575.9[天文地球—矿物学]