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제124회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Simulations on polymer loop formation kinetics in heterogeneous porous media

2019년 8월 21일 12시 48분 40초
PHYS.P-155 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 17일 (목요일) 11:00~12:30
Physical Chemistry
저자 및
Seulki Kwon, Bong June Sung*
Department of Chemistry, Sogang University, Korea
A variety of macromolecules such as proteins and cytoskeleton structures occupy up to 40% of the cytoplas- mic volume of cells. Such diverse macromolecules make the cell cytoplasm not only structurally heterogeneous but also dynamically heterogeneous: some macromolecules may diffuse freely inside cell cytoplasm at a certain time scales but others hardly diffuse. While the effects of the crowdedness and structural heterogeneity on the reaction kinetics have been investigated extensively, studies on the effects of the heterogeneous dynamics are limited. In this study, we employ a simple model of mixtures of mobile and immobile matrix particles, and tune the degree of dynamic heterogeneity by changing the fraction of immobile matrix particles. We investigate the loop formation of a single polymer chain as a model reaction by performing Langevin dynamics simulations. As the volume fraction of immobile matrix particles reaches a critical value at the percolation transition, the reaction kinetics becomes significantly heterogeneous and the survival probability distribution of the chain loop formation becomes stretched-exponential. We also find that heteroge- neous reaction rate near the percolation transition is closely related to the structures of local pores in which the polymer is confined.