Phase transition to bundles of flexible supramolecular polymers

被引:38
作者
Huisman, B. A. H. m [1 ]
Bolhuis, P. G. [1 ]
Fasolino, A. [1 ]
机构
[1] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1018 WV Amsterdam, Netherlands
关键词
D O I
10.1103/PhysRevLett.100.188301
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report Monte Carlo simulations of the self-assembly of supramolecular polymers based on a model of patchy particles. We find a first-order phase transition, characterized by hysteresis and nucleation, toward a solid bundle of polymers, of length much greater than the average gas phase length. We argue that the bundling transition is the supramolecular equivalent of the sublimation transition, which results from a weak chain-chain interaction. We provide a qualitative equation of state that gives physical insight beyond the specific values of the parameters used in our simulations.
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页数:4
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