摘要
采用简立方格点上的MonteCarlo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 〉 =αNγ,〈Z〉 =βNη,其中 ,γ、η、α、β都是u的函数 ;u从1减小到 0 5,则γ从 1 0 1增大到 1 19,η从 0 51增大到 0 60 .
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 〈 R 2〉 and the mean distance of mass center 〈 Z 〉 from the wall are calculated.Results show that both 〈 R 2〉 and 〈 Z 〉 obey the scaling law, 〈R 2〉=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.
出处
《计算物理》
CSCD
北大核心
2000年第6期645-648,共4页
Chinese Journal of Computational Physics
关键词
高分子链
吸附
均方末端距
蒙特卡罗模拟
polymer chain
Monte Carlo simulation
absorption
mean square end to end distance
position of mass center
