Method for determining optimal cleaning parameters of semiconductor parts through molecular simulation

The invention relates to a method for determining optimal cleaning parameters of a semiconductor part by using molecular simulation, which comprises the following steps of: simulating a diffusion process of a pollutant migrating from a fluoroplastic part to a solution under different conditions by using a molecular dynamics simulation method, and calculating and analyzing a simulation result to obtain relevant parameters such as a diffusion coefficient and the like. According to the method, the migration and diffusion phenomena and mechanisms of pollutants disclosed by the data are utilized to obtain cleaning and soaking effects under different process conditions, and an appropriate soaking solution and corresponding cleaning process parameters including temperature, time and the like are determined according to the soaking effects. Cleaning and soaking processes can be optimized, so that the production efficiency of products is improved, and the manufacturing cost of the products is reduced. 本发明涉及一种运用分子模拟确定半