一端附壁高分子链的Monte Carlo研究

MONTE CARLO STUDY OF ONE END ABSORBED POLYMER CHAIN

  • 摘要: 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>=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1.01增大到1.19,η从0.51增大到0.60.

     

    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>=αNγ,<Z>=βNη, 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.

     

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