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| Type |
Oral Presentation |
| Area |
Oral Presentation for Young Scholars in Physical Chemistry |
| Room No. |
Room 324A |
| Time |
THU 10:00-: |
| Code |
PHYS.O-6 |
| Subject |
Non-equilibrium effect on the kinetics of the polymer loop formation |
| Authors |
Bong June Sung*, YoungRo Lee
Department of Chemistry, Sogang University, Korea
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| Abstract |
The local equilibrium approximation (LEA) is a fundamental approximation in many theories and studies,
however little is known about a measurability of a deviation from local equilibrium or the effect of the breakdown of the LEA on physical properties. Using coarse-grained molecular dynamics simulations, we calculate a rate constant (kloop) of a loop formation reaction by varying a solvent viscosity (ηsol) in two types of explicit solvents and investigate the effect of LEA’s breakdown on the loop formation kinetics. We find that kloop∼η−1sol predicted by celebrated Kramers theory appears where the LEA is satisfied. On the other hand, a fractional viscosity dependence (kloop∼η−βsol, β < 1) which is a central issue of folding dynamics appears where the LEA breaks down. We suggest the failure of the LEA may contribute to the origin of a fractional dependence of the rate constant on the solvent viscosity. We also show that a mutual information could quantify such deviation from the local equilibrium by capturing an increased correlation due to LEA’s breakdown. |
| E-mail |
rocow918@sogang.ac.kr |
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122nd General Meeting of the KCS