Simulation Of Polymer Chain Modeland Algorithm Driven By External Force Based On Monte Carol Method

The basic principle of computer simulation is to construct the mathematical model of the research object in the calculation to obtain the corresponding data.The object model is generally established based on other disciplines or based on the content to be studied.Therefore,computer simulations can be used in conjunction with other disciplines,namely cross-disciplines,as a research tool for many basic disciplines to solve scientific computation problems in basic disciplines.The Monte Carlo method is one of the most important simulation methods in computer simulation and has been widely used by scholars in various scientific fields.Monte Carlo method is also called statistical simulation method.It is not a general concept of numerical calculation method,but a numerical calculation method based on probability statistics theory is proposed.It is mainly to use random numbers or pseudo-random numbersto solve practical calculation problems,and then through a large number of sample sampling so that the value of the problem to be solved becomes more accurate.The Monte Carlo approach can solve problems that cannot be solved experimentally and theoretically.In this paper,Monte Carlo method was used to study the adsorption behavior and conformational change of homopolymers near the surface with attraction and under external force.Firstly,the basic idea of Monte Carlo method is described in detail,and the core problem in Monte Carlo method-the generation of random numbers is solved,and the program code is written in the computer.Then two kinds of single-chain models commonly used in the Monte Carlo method,namely the non-lattice model and the lattice model,are proposed,and the two models are described respectively,and the polymer chain model used here is referred to as a simple cubic lattice.Chain model.Afterwards,the modeling algorithms of the model studied in Monte Carlo method are expounded,including the principle and algorithm description of the generation and self-avoidance walking mode of polymer chain.The long-chain fluctuation and cooperative motion algorithm is used in the process of polymer chain.The combined ideas introduced the two algorithms and their implementation in the computer.The probability of success for a single attempted movement is calculated using the Metropolis importance sampling method.Finally,the relevant data obtained by computersimulation are used to analyze and reveal the critical adsorption behavior and conformational change of polymer chains at different external forces F.This provides a theoretical basis for additional experiments in this field.