The escape transition of a lattice star polymer grafted in a pore

IF 2 3区 物理与天体物理 Q2 PHYSICS, MATHEMATICAL Journal of Physics A: Mathematical and Theoretical Pub Date : 2024-08-29 DOI:10.1088/1751-8121/ad707f
C J Bradly, E J Janse van Rensburg
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Abstract

Polymers in confined spaces are compressed and have reduced conformational entropy, and will partially or fully escape from confinement if conditions are suitable. This is in particular the case for a polymer grafted in a pore. The escape of the polymer from the pore may be considered a partial translocation from the pore into bulk solution, and the resulting conformational readjustment of the polymer has characteristics of a thermodynamic phase transition. In this paper a lattice self-avoiding walk model of a star polymer grafted in a pore is examined numerically using the PERM algorithm. We show that the arms of the grafted lattice star escape one at a time as the length of the pore is reduced, consistent with earlier results in the literature. Critical points for the escape transitions are estimated for square and cubic lattice models and we also examine various properties of the model as it undergoes the escape transition.
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接枝在孔隙中的晶格星形聚合物的逸出转变
密闭空间中的聚合物受到压缩,构象熵降低,如果条件合适,它们会部分或全部从密闭空间中逸出。接枝在孔隙中的聚合物尤其如此。聚合物从孔隙中逸出可被视为部分从孔隙转移到体溶液中,由此产生的聚合物构象重新调整具有热力学相变的特征。本文使用 PERM 算法对接枝在孔隙中的星形聚合物的晶格自避让行走模型进行了数值研究。结果表明,随着孔隙长度的减小,接枝星形晶格的臂会逐次逸出,这与文献中的早期结果一致。我们估算了方形和立方晶格模型逸出转变的临界点,并检验了模型在经历逸出转变时的各种特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
4.10
自引率
14.30%
发文量
542
审稿时长
1.9 months
期刊介绍: Publishing 50 issues a year, Journal of Physics A: Mathematical and Theoretical is a major journal of theoretical physics reporting research on the mathematical structures that describe fundamental processes of the physical world and on the analytical, computational and numerical methods for exploring these structures.
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