Comprehensive analysis of multiple factors influencing droplet coalescence by orthogonal simulation: A molecular dynamics study

Abstract

In recent years, electrostatic coalescing technology has been widely used in the electric dehydration of crude oil due to its many advantages. However, with the widespread use of chemical flooding technology in oil fields, the disadvantages are becoming more and more obvious. Many scholars try to improve the coalescing efficiency through numerical simulation, but most of the existing studies focus on the macro level and the impact on the micro scale is not detailed enough. In this study, the GROMACS simulation software was used to simulate molecular dynamics. By establishing a simulation system, the approaching time and fusion time of droplet coalescence, as well as the interaction potential energy between droplet were investigated. Then L16 (4⁵) orthogonal test table was used for orthogonal simulation, and the microscopic mechanism of droplet coalescence and the priority order of each factor affecting droplet coalescence efficiency could be obtained. The results of this study will help to further improve the mechanism of electrostatic coalescence from the molecular level, and the numerical simulation method used in this study has a good reference value for the study of micro and nano droplet characteristics.