Phase Transition to Bundles of Flexible Supramolecular Polymers

by: BAH Huisman, PG Bolhuis, A Fasolino

Physical Review Letters, Vol. 100, No. 18. (2008)

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Résumé

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.

@article{citeulike:2759270, abstract = {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.}, author = {Huisman, B. A. H. and Bolhuis, P. G. and Fasolino, A. }, citeulike-article-id = {2759270}, doi = {http://dx.doi.org/10.1103/PhysRevLett.100.188301}, journal = {Physical Review Letters}, keywords = {2008, interaction, phase, polymer}, number = {18}, posted-at = {2008-05-18 20:07:13}, priority = {2}, publisher = {APS}, title = {Phase Transition to Bundles of Flexible Supramolecular Polymers}, url = {http://dx.doi.org/10.1103/PhysRevLett.100.188301}, volume = {100}, year = {2008} }

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TY - JOUR ID - citeulike:2759270 L3 - citeulike-article-id:2759270 N2 - 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. IS - 18 JF - Physical Review Letters TI - Phase Transition to Bundles of Flexible Supramolecular Polymers PB - APS VL - 100 KW - 2008 KW - interaction KW - phase KW - polymer AU - Huisman, BAH AU - Bolhuis, PG AU - Fasolino, A PY - 2008/// UR - http://dx.doi.org/10.1103/PhysRevLett.100.188301 ER -

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