Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement

被引:41
作者
Arnold, Axel
Bozorgui, Behnaz
Frenkel, Daan
Ha, Bae-Yeun
Jun, Suckjon
机构
[1] FOM, Inst AMOLF, NL-1098 SJ Amsterdam, Netherlands
[2] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada
[3] Harvard Univ, FAS Ctr Syst Biol, Cambridge, MA 02138 USA
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1063/1.2799513
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation time of the chain, tau, with the chain length N and pore diameter D. An earlier scaling analysis based on the de Gennes blob picture led to tau similar to (ND1/3)-D-2. Our numerical effort that combines molecular dynamics and Monte Carlo simulations, however, consistently produces different tau results for N up to 2000. We argue that the previous scaling prediction is only asymptotically valid in the limit N >> D-5/3 >> 1, which is currently inaccessible to computer simulations and, more interestingly, is also difficult to reach in experiments. Our results are thus relevant for the interpretation of recent experiments with DNA in nano- and microchannels. (C) 2007 American Institute of Physics.
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页数:9
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