Molecular dynamics study on oil migration inside silica nanopore
Molecular dynamics study on oil migration inside silica nanopore
复制标题
二氧化硅纳米孔内石油运移的分子动力学研究
DOI：
10.1016/j.cplett.2017.04.057
复制
发表时间：
2017-06-16
影响因子：
2.8
通讯作者：
Yuan, Shiling
中科院分区：
文献类型：
--
作者：
Sun, Jichao;Zhang, Heng;Yuan, Shiling
水驱后储层岩石孔隙中的油的两个建议系统是用二氧化硅纳米孔内的油缸建立的。对油相的聚集态结构进行了一系列的分子动力学模拟。结果表明，两种原油体系中，稠油组分在二氧化硅纳米孔中的分布位置不同。庚烷中的重油分子可以沉淀并吸附在二氧化硅表面。采用Steered MD模拟方法对驱油过程进行了研究。通过分析溶剂可及表面积（SASA），从分子水平上揭示了稠油组分的迁移规律。(C)2017爱思唯尔B.V.保留所有权利。
Two suggested systems of oil in the porosity of the reservoir rock after water flooding were built with an oil cylinder inside a silica nanopore. A series of MD simulations were performed to obtain the aggregation structure of oil phase. The results revealed that heavy oil components showed different distribution position inside silica nanopore in the two oil systems. Heavy oil molecules in heptane can precipitate and adsorbed on silica surface. Steered MD simulation was used to study the oil displacement. By analyzing solvent accessible surface area (SASA), we demonstrated the migration of heavy oil components at molecular level. (C) 2017 Elsevier B.V. All rights reserved.