Simulation Of Adsorption Properties Of Single-chain Polymers On Surface Based On Off-Latices Monte Carlo Method

Research on the adsorption process of polymer chains on the surface plays an important role in the fields of physics,biology and medicine.By studying the adsorption of polymer chains on the surface,it can guide the improvement of physical and chemical device performance,and change some processes in the biological field such as protein adsorption and drug synthesis.Because of the extremely complex adsorption of polymers on the surface,many mechanisms are still unclear.The experimental research methods have very limited effects on the acquisition of polymer conformation information,and cannot fully reflect the adsorption conformation information of polymers on the surface.Theoretical calculations are often based on empirical formulas.In contrast,computer simulation is the main research method.Because of its low cost and simple operation,the constellation information that can be obtained is comprehensive and widely concerned.In the aspect of polymer chain simulation,it is theoretical research and experimental guidance.,improve the basis of reliability,and as a comparison,the three promote each other.The conformational adsorption 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 non-grid Monte Carlo simulation.Firstly,the paper interprets the basic idea of Monte Carlo simulation through two aspects: grid simulation and non-grid simulation.Then the modeling algorithm of non-grid Monte Carlo simulation is described,including initial constellation generation,relaxation motion and final sampling statistics.The implementation of the algorithm in the computer is introduced respectively.Finally,using the data obtained by computer simulation,the conformational changes and critical adsorption behavior of polymer single chains with different adsorption strengths were analyzed.The repelling surface used in the paper model first studied the change of the polymer single chain in the case of the repulsive volume,and then studied the adsorption behavior of the chain on the homogeneous surface,and discussed its critical adsorption point.