121st General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Event Hall
Time 4월 20일 (금요일) 11:00~12:30
Code PHYS.P-163
Subject Monte Carlo simulation studies on the anisotropic diffusion reaction in condensed phases
Authors Dajeong Choi, Taejun Kim, Hyojoon Kim*
Department of Chemistry, Dong-A University, Korea
Abstract We study the fundamental phenomena of diffusive motions using lattice-based Monte Carlo simulations to improve utilities of simulations for the applications to complex real systems. The random walk on irregular lattices has attracted increasing attentions since it can represent numerous complicated diffusion-reaction systems such as in vivo biological reactions and percolation clusters. We find that anisotropy can be controlled by changing the probability ratio of the stay to the movement in two or three dimensional simulations. Simulation results are easily obtained and compared in anisotropic systems where theoretical predictions are absent. We confirm the accuracy of Monte Carlo methods by reproducing the theoretical predictions in isotropic diffusion-reaction systems.
E-mail ekwjd1485@naver.com