%0 Book Section %1 statphys23_0048 %A Paul, W. %A Rampf, F. %A Strauch, T. %A Binder, K. %B Abstract Book of the XXIII IUPAP International Conference on Statistical Physics %C Genova, Italy %D 2007 %E Pietronero, Luciano %E Loreto, Vittorio %E Zapperi, Stefano %K chain collapse crystallization montecarlo polymer simulation statphys23 topic-7 %T Gas, Liquid and Solid Phases of a Single Flexible Macromolecule %U http://st23.statphys23.org/webservices/abstract/preview_pop.php?ID_PAPER=48 %X A single, flexible homopolymer chain undergoes a transition from an extended self-avoiding walk coil into a compact, liquid-like globule upon changing the solvent quality, for instance by changing the temperature for stimuli-responsive polymers.Temperature as a control parameter has also been used in computer simulations of the collapse transition which have been extensively performed since many years. All simulations support the predictions of mean field theory (with possible logarithmic corrections) that this is a continuous transition. Adapting the recently proposed Wang-Landau Monte Carlo algorithm for the determination of the density of states to the bond-fluctuation polymer model we show that: (i) There is a first order phase transition into a solid state in the collapsed globule. In former simulations and also in experiments this transition was masked by the glass transition of the dense globule. (ii) Depending on the range of the attractive interaction there are either seperate transitions coil/liquid globule/solid globule or a direct coil/solid globule transition in the thermodynamic limit. The latter case was not predicted theoretically. The vanishing of the liquid phase in the thermodynamic limit is in quantitative agreement with results on the phase behavior of colloids with short-ranged interactions.

@incollection{statphys23_0048, abstract = {A single, flexible homopolymer chain undergoes a transition from an extended self-avoiding walk coil into a compact, liquid-like globule upon changing the solvent quality, for instance by changing the temperature for stimuli-responsive polymers.Temperature as a control parameter has also been used in computer simulations of the collapse transition which have been extensively performed since many years. All simulations support the predictions of mean field theory (with possible logarithmic corrections) that this is a continuous transition. Adapting the recently proposed Wang-Landau Monte Carlo algorithm for the determination of the density of states to the bond-fluctuation polymer model we show that: (i) There is a first order phase transition into a solid state in the collapsed globule. In former simulations and also in experiments this transition was masked by the glass transition of the dense globule. (ii) Depending on the range of the attractive interaction there are either seperate transitions coil/liquid globule/solid globule or a direct coil/solid globule transition in the thermodynamic limit. The latter case was not predicted theoretically. The vanishing of the liquid phase in the thermodynamic limit is in quantitative agreement with results on the phase behavior of colloids with short-ranged interactions.}, added-at = {2007-06-20T10:16:09.000+0200}, address = {Genova, Italy}, author = {Paul, W. and Rampf, F. and Strauch, T. and Binder, K.}, biburl = {https://www.bibsonomy.org/bibtex/2bbb43a7764a5d079a094ff6036b4e563/statphys23}, booktitle = {Abstract Book of the XXIII IUPAP International Conference on Statistical Physics}, editor = {Pietronero, Luciano and Loreto, Vittorio and Zapperi, Stefano}, interhash = {0872534bf7cf17df2c0c282b896b7f1c}, intrahash = {bbb43a7764a5d079a094ff6036b4e563}, keywords = {chain collapse crystallization montecarlo polymer simulation statphys23 topic-7}, month = {9-13 July}, timestamp = {2007-06-20T10:16:10.000+0200}, title = {Gas, Liquid and Solid Phases of a Single Flexible Macromolecule}, url = {http://st23.statphys23.org/webservices/abstract/preview_pop.php?ID_PAPER=48}, year = 2007 }