What is the order of the two-dimensional polymer escape transition?
An end-grafted flexible polymer chain in three-dimensional space between two pistons undergoes an abrupt transition from a confined coil to a flowerlike conformation when the number of monomers in the chain, N, reaches a critical value. In two-dimensional (2D) geometry, excluded-volume interactions between monomers of a chain confined inside a strip of finite length 2L transform the coil conformation into a linear string of blobs. However, the blob picture raises questions about the nature of this escape transition. To check theoretical predictions based on the blob picture we study 2D single-polymer chains with excluded-volume interactions and with one end grafted in the middle of a strip of length 2L and width H by simulating self-avoiding walks on a square lattice with the pruned-enriched Rosenbluth method. We estimate the free energy, the end-to-end distance, the number of imprisoned monomers, the order parameter, and its distribution. It is shown that in the thermodynamic limit of large N and L but finite LN , there is a small but finite jump in several average characteristics, including the order parameter. We also present a theoretical description based on the Landau free energy approach, which is in good agreement with the simulation results. Both simulation results and the analytical theory indicate that the 2D escape transition is a weak first-order phase transition.
Hsu
Hsiao-Ping
HP
Institut für Physik, Johannes Gutenberg-Universität Mainz, D-55099 Mainz, Staudinger Weg 7, Germany.
Binder
Kurt
K
Klushin
Leonid I
LI
Skvortsov
Alexander M
AM