关键词: 高分子链, Monte Carlo模拟, 吸附, 均方末端距, 质量中心位置

Abstract: Polymer chain with one end absorbed to an infinitely large impenetrable wall on the simple cubic lattice is studied with Monte Carlo method.The mean square end-to-end distance <R²> and the mean distance of mass center <Z> from the wall are calculated.Results show that both <R²> and <Z> obey the scaling law, <R²>=αN^γ,<Z>=βN^η, where N is chain length,while γ,η,α, and β are functions of the parameter u(u=e-^ε/kT,here ε is interaction energy between any pair of framework atom of the chain, k is the Boltzmann constant and T is the absolute temperature).It is found that γ increases from 1.01 to 1.19,and η increases from 0.51 to 0.60 when u decreases from 1 to 0.5.

Key words: polymer chain, Monte Carlo simulation, absorption, mean square end-to-end distance, position of mass center