Study On Pattern Matching Simulation And Algorithm Of Diblock Polymer On Stripe Surface

In the polymer field,there are a lot of random phenomena.If one simply relies on the experimental method to study the interfacial adsorption phenomenon of a polymer,the complete information of the adsorption cannot be obtained.The Monte Carlo method is one of the numerical simulation methods of macromolecule.Its basic idea is to simulate the motion of the system particles according to the laws of physics so as to accurately calculate the thermodynamic properties of the macromolecules.Using the Monte Carlo simulation method,the phenomenon of polymer adsorption can be studied from the microscopic level,which helps to understand the mechanism of phase separation and the formation of microstructures.In this thesis,a simple cubic lattice model is used to simulate the motion environment of a polymer,and the Brownian motion of the polymer is simulated by the self-avoidance walking model and the bond length fluctuation model,and the statistical sampling method is carried out by the importance sampling method.In order to reduce the running time,the Monte Carlo simulation of the polymer was parallelized by MPI.Based on the statistical physics method,the adsorption process and the recognition process of polymer on the stripe surface were analyzed by mean of the conformational property such as mean radius of gyration and shape factor.The Kinetics Monte Carlo method was used to simulate the adsorption process of the homopolymer₁₀₀ and the diblock polymer₅₀₅₀ on the stripe surface?L=10?,and the conformational properties of the homopolymer and the diblock polymer on the stripe surface was compared and analyzed.The difference in properties and the influence of the structure of the segment and the width of the stripes in the adsorption process and the recognition process of the diblock polymer₉8))and the stripe surface are studied.The simulation results show that there are differences in the conformational properties of the homopolymer₁₀₀ and the diblock polymer₅₀₅₀ on the stripe surface.On the stripe surface with the stripe width L=10,the mean square radius of gyration and shape factor of the homopolymer₁₀₀ are larger than those of the diblock polymer₅₀₅₀,and the homopolymer₁₀₀ tends to form a"rod-like"conformation at the recognition stage.During studying the adsorption of the diblock polymer₉8))on the stripe surface,it was found that the structure of the segment and the width of the stripe affect the conformation of the polymer₉8))in the adsorption phase and the recognition phase,respectively.The research results obtained by the Monte Carlo simulation method can provide a guidance for the study of the thermodynamic property of the molecular polymer and promote the development of related technologies.