聚合物链在线圈到球体转变时的尺寸

P Romiszowski, A Sikorski
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引用次数: 5

摘要

用蒙特卡罗方法研究了星形支链聚合物和线性聚合物的简单模型。链条被限制在一个简单的立方晶格上。星形支化聚合物由f=3条等长臂组成。两种聚合物的珠粒总数从N=49到N=799不等。模拟是在不同的溶剂质量下进行的——从良好的溶剂到崩溃的球体状态。所考虑的链的静态性能被测量为系统温度的函数。结果表明,旋转半径与端到端平均矢量的比值对溶剂质量非常敏感。结果表明,螺旋向球的转变是一个复杂的现象。对这一现象的可能解释进行了讨论。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The dimensions of a polymer chain at the coil-to-globule transition

Simple models of the star-branched and linear polymers were studied by means of a Monte Carlo method. The chains were confined on a simple cubic lattice. Star-branched polymers consisted of f=3 arms of equal length. The total number of beads in both types of polymers was varied from N=49 to N=799. The simulations were performed in different solvent qualities—from a good solvent to a collapsed globule regime. The static properties of the chains under consideration were measured as functions of the temperature of the system. It appeared that the ratio of the radius of gyration to the mean end-to-end vector is very sensitive to solvent quality. It shows that the coil-to-globule transition is a complicated phenomenon. The possible explanation of the phenomenon is discussed.

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