Monte Carlo study on the entropy of tail-like polymer chain with one end attached to flat surface
Monte Carlo study on the entropy of tail-like polymer chain with one end attached to flat surface
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DOI：
10.1142/s0217979207037004
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发表时间：
2007-04-20
影响因子：
1.7
通讯作者：
Luo, Meng-Bo
中科院分区：
文献类型：
--
作者：
Chen, Ying-Cai;Luo, Meng-Bo
对一端附着在无相互作用且不可穿透的平面上的晶格自回避尾状聚合物链进行动态蒙特卡罗模拟。尾状链的构象熵$S_{TL}$通过扫描方法确定。熵$S_{TL}$小于无表面的自由链的熵$S_F$。对于短链，熵降$\Delta S = S_F - S_{TL}$随$\ln n$线性增加，对于长链则随$n$线性增加。然而，每个珠子的平均熵降$\Delta S / n$随$n$减小，这表明表面对一个链珠的平均影响随链长的增加而减小。
Dynamic Monte Carlo simulations are performed for lattice self-avoiding tail-like polymer chains with one end attached to a non-interacting and impenetrable flat surface. The configurational entropy S-TL of the tail-like chain is determined by the scanning method. The entropy S-TL is smaller than that of the free chain without surface S-F. The entropy drop Delta S - S-F - S-TL increases linearly with Inn for short chains and increases linearly with n for long chains. However, the average entropy drop per bead Delta S/n decreases with n, indicating that the average effect of the surface on one chain bead decreases with the increase in chain length.