约束聚合物链的形状

C. Cordeiro, M. Molisana, D. Thirumalai
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引用次数: 33

摘要

我们考虑聚合物链被限制在两个平行板(狭缝)之间的问题。假定聚合物和平板之间的相互作用是排斥的。一个变分理论被用来推导链的大小作为板之间的距离,D的函数,无论是硬的不可穿透的墙壁,以及软的墙壁。在这两种情况下都表明,对于大和小的D值,结果与标度理论的预测一致。对于D的中间值,聚合物的大小取决于单体与壁之间的相互作用强度c0。从完全挤压状态(D→0)到极板分离无穷大的情况的交叉对良好溶剂是非单调的。特别是端到端均方距离在d的中等值处具有最小值(其深度取决于c0),理论预测与蒙特卡罗模拟一致。当溶剂质量较差时,从二维行为到三维情况的交叉是单调的。研究了聚合物与板间相互作用强度的影响。本文认为,对于中等的D值,具有特定相互作用的给定尺寸的狭缝与具有较大狭缝尺寸但具有更强相互作用的狭缝具有相同的效果。
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Shape of Confined Polymer Chains
We consider the problem of polymer chains confined between two parallel plates (a slit). The interactions between the polymer and the plates are assumed to be repulsive. A variational theory is used to derive the size of the chain as a function of the distance between plates, D, for both hard impenetrable walls as well as for soft walls. In both cases it is shown that for large and small values of D, the results coincide with the predictions of the scaling theory. For intermediate values of D the size of the polymer depends on the strength of interaction, C 0 , between the monomers and the walls. The cross-over from the fully squeezed regime (D → 0) to the case when the plate separation is infinite is non-monotonic for good solvents. In particular the mean square end-to-end distance has a minimum (the depth of which depends on C 0 ) at moderate values of D. The theoretical predictions are in accord with Monte-Carlo simulations. When the solvent quality is poor the cross-over from two-dimensional behavior to three-dimensional case is monotonic. The effect of interaction strength between the polymer and the plates is also examined. It is argued that for moderate values of D a slit of given size with a specified interaction has the same effect as one of larger slit size but with stronger interactions.
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