Simulation study on the translocation of polymer chains through nanopores.
The translocation of polymer chains through nanopores is simulated by dynamical Monte Carlo method. The free energy landscape for the translocation of polymer is calculated by scanning method. The dependence of the free energy barrier Fb and the chemical difference Deltamu on the concentration of chains can explain the behavior of polymer translocation at low and high concentration limits. The relationship between Deltamu and the escaping time tau(2) is in good agreement with the theoretical conclusions obtained by Muthukumar [J. Chem. Phys. 111, 10371 (1999)]. Our simulation results show that the relaxation time is mainly dominated by Fb, while the escaping time is mainly dominated by Deltamu.
Department of Physics, Taizhou University, Taizhou 317000, China.
Ying-Cai
YC
Chen
Chao
C
Wang
Meng-Bo
MB
Luo
D003198:Computer Simulation; D004058:Diffusion; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D011108:Polymers / Q000737:chemistry*; D016062:Porosity
D011108:Polymers