一端附壁高分子链的Monte Carlo研究

采用简立方格点上的Monte Carlo模拟,研究一端被无限大不可穿透平面壁吸附的高分子链的均方末端距<R²>,以及高分子链的质量中心到平面吸附壁的平均距离<Z>,与链长N、参数u(u=e^-ε/kT,ε是链骨架原子间的相互作用能量,k是玻耳兹曼常数,T是热力学温度)的关系。结果表明:<R²>和<Z>都服从标度律,<R²>=αN^γ,<Z>=βN^η,其中,γ、η、α、β都是u的函数;u从1减小到0.5,则γ从1.01增大到1.19,η从0.51增大到0.60.

MONTE CARLO STUDY OF ONE END ABSORBED POLYMER CHAIN

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.