Molecular dynamics-based natural gas drag reducer coating drag reduction performance prediction method

Abstract

The invention discloses a natural gas drag reducer coating drag reduction performance prediction method based on molecular dynamics, and belongs to the field of natural gas drag reduction and molecular dynamics simulation. The method comprises the following steps: constructing a basic unit, a natural gas drag reducer molecule and a methane molecule of an iron surface; placing a single drag reducer molecule on an iron surface basic unit for cell expansion, and performing dynamic simulation to obtain a natural gas drag reducer self-assembly film-covering structure; methane molecules are placed above the iron surface through a random generator, the downward movement speed of the methane molecules is set to carry out collision dynamics simulation, the process that the methane molecules collide to the iron surface and the drag reducer self-assembly film structure surface is compared and analyzed so as to evaluate the drag reduction performance, and the simulation result of the method is verified through a pipeline experiment. According to the invention, a reliable theoretical basis can be provided for molecular screening and drag reduction performance evaluation under a micro scale, rapid screening of novel drag reducer molecules is realized, and the research and development cost and the test period are remarkably reduced.

Images