含水率对含蜡原油乳状液中蜡分子扩散行为影响的分子动力学模拟

Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content

依力娜尔·吐尔逊 张广建 付丽 范开峰 王卫强

Tuerxun YILINAER· Guangjian ZHANG Li FU Kaifeng FAN Weiqiang WANG

辽宁石油化工大学 石油天然气工程学院，辽宁 抚顺 113001 常州大学 石油与天然气工程学院/能源学院，江苏 常州 213164

College of Petroleum Engineering，Liaoning Petrochemical University，Fushun Liaoning 113001，China School of Petroleum and Natural Gas Engineering/School of Energy，Changzhou University，Changzhou Jiangsu 213164，China

利用分子动力学，分别构建正十二烷、正十八烷和正二十九烷的最低能量构型，研究了含水率（质量分数）不同时油分子与蜡分子之间的相互作用；构建含水率不同的原油乳状液体系的分子动力学模型，研究了水分子溶解在体系后对含蜡原油黏度的影响；比较了蜡分子在含水率不同的体系内的径向分布函数。结果表明，碳数是决定原油分子之间相互作用能的主要因素；随着含水率的增加，分子间的距离变大，而相互作用能变小；水分子溶解在体系中后，蜡分子间的距离和静电相互作用均变大，蜡分子分布变得无序，原油的流动特性得到改善。

Using molecular dynamics, the lowest energy configurations of n?dodecane, n?octadecane, and n?nonadecane were constructed, and the interactions between oil molecules and wax molecules were studied at different water contents (mass fractions). The molecular dynamics model of crude oil emulsion system based on different mass fraction water content was constructed. The effect of water molecules dissolved in the system on the viscosity of waxy crude oil was studied. The radial distribution functions of wax molecules in different water content systems were compared. The results show that carbon number is the main factor to determine the interaction energy between crude oil molecules. With the increase of water content, the distance between molecules increases, while the interaction energy decreases. After water molecules are dissolved in the system, the distance between wax molecules and electrostatic interaction become larger, the distribution of wax molecules becomes disordered, and the flow characteristics of crude oil are improved.

国家自然科学基金项目(51374098)

10.12422/j.issn.1672-6952.2025.03.009