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叙述了近年来非平衡分子动力学在炭膜气体分离中的研究进展,包括分子模拟方法的选取及非平衡分子动力学模拟的几个主要步骤;综述了气体混合物通过炭膜时传递和分离性能的影响因素(如孔结构及孔径大小、操作压力、温度、组分组成等);并对炭膜研究现状作了简要的概述,提出目前分子模拟在炭膜研究中所存在的问题,一方面是模型建立问题．另一方面是研究膜传递和分离机理性能所考察的影响因素还不够完善,加强对膜传递分离机理的研究,对膜的设计、制备及应用都有重要的指导意义。
The research progress of unbalanced molecular dynamics in carbon gas separation in recent years is described, including the selection of molecular simulation methods and several key steps of non-equilibrium molecular dynamics simulation. The gas-phase transfer and separation performance (Such as pore structure and pore size, operating pressure, temperature, composition, etc.); and a brief overview of the research status of the carbon membrane, the current molecular simulation of carbon film in the existing problems, on the one hand It is model building problem. On the other hand, the factors influencing the performance of membrane transfer and separation mechanism are not perfect, and the research on the mechanism of membrane transfer enhancement is of great significance to the design, preparation and application of membrane.