121st General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Event Hall
Time 4월 20일 (금요일) 11:00~12:30
Code PHYS.P-236
Subject Anomalous Kinetics of Loop Formation of A Single Polymer
Authors YoungRo Lee, Bong June Sung*, Seulki Kwon
Department of Chemistry, Sogang University, Korea
Abstract The loop formation of a single polymer chain, the process of two ends of a linear chain meeting each other, has been a topic of academic interest because the loop formation should be the longest relaxation mode for a polymer and the loop formation should be an important model system for protein folding and DNA hairpin formation. Many experiments and theories have been, therefore, performed. The celebrated Kramers theory based on Smoluchowski equation predicted that the rate constant (krxn) of the loop formation should be inversely proportional to the viscosity (ηsol), i.e. krxnsol-1. However, recent studies showed that the theory worked properly only when the viscosity of the medium was sufficiently large. The Kramers theory failed and the fractional viscosity dependence of krxn , i.e. krxnsol (α<1) appeared when either the medium viscosity was very low or the medium was in the glass state. In this work, we perform coarse-grained MD simulations for a polymer chain in both low viscosity medium and glasses and reproduce the fractional viscosity dependence of krxn. We find that such breakdown of Kramers theory could be quantified by the mutual information, a measure for the validation of local equilibrium approximation.
E-mail rocow918@sogang.ac.kr