基于非格点Monte Carlo方法模拟高分子在表面上吸附  

Simulation of polymer adsorption on surface by off-lattice Monte Carlo method

作　　者：施双飞 孙立望 李洪 Shi Shuangfei;Sun Liwang;Li Hong(College of mathematics, physics and electronic information engineering, Wenzhou University, Wenzhou Zhejiang 325035, China)

机构地区：[1]温州大学数理与电子信息工程学院

出　　处：《计算机时代》2019年第11期1-3,共3页Computer Era

基　　金：国家自然科学基金（11775161,1147222）;浙江省自然科学基金（LY17A040007）;浙江省教育厅项目（Y201738867）

摘　　要：高分子链在表面吸附过程已经成为了物理、生物、医学等领域的重要课题。通过研究高分子链在表面上的吸附作用,可以指导改善物理化学器件性能,改变生物领域某些如蛋白质吸附、药物合成等相关过程。高分子链在表面上的吸附构象性质与高分子链链内作用力以及表面吸附作用强度有关。本论文采用非格点Monte Carlo模拟方法研究其在不同作用力下的吸附过程以及构象性质。模型采用软排斥表面,研究了高分子单链在均质表面上的吸附行为,及其临界吸附点。The research on the adsorption process of polymer chains on the surface plays an important role in the fields of physics, biology and medicine. The study on the adsorption of polymer chains on the surface, can lead to the improvement of physical and chemical device performance, and change some processes in the biological field such as protein adsorption and drug synthesis. The adsorption conformation properties of the polymer chain on the surface are related to the unit force of the polymer chain and the adsorption strength of the outer surface of the chain. In this thesis, the adsorption process and conformational properties under different forces are studied by off-lattices Monte Carlo simulation. With the soft repellent surface model, the adsorption behavior of the polymer single chain on the homogeneous surface is studied, and its critical adsorption point is discussed.

关 键 词：MONTE CARLO模拟 非格点 构象 吸附 

分 类 号：TP391[自动化与计算机技术—计算机应用技术]