Collapse dynamics of a polymer chain: Theory and simulation

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2002 EDP Sciences
, , Citation C. F. Abrams et al 2002 EPL 59 391 DOI 10.1209/epl/i2002-00207-5

0295-5075/59/3/391

Abstract

We present a scaling theory describing the collapse of a homopolymer chain in poor solvent. At time t after the beginning of the collapse, the original Gaussian chain of length N is streamlined to form N/g segments of length R(t), each containing gtmonomers. These segments are statistical quantities representing cylinders of length Rt1/2 and diameter but structured out of stretched arrays of spherical globules. This prescription incorporates the capillary instability. We compare the time-dependent structure factor derived for our theory with that obtained from ultra-large-scale molecular-dynamics simulation with explicit solvent. This is the first time such a detailed comparison of theoretical and simulation predictions of collapsing chain structure has been attempted. The favorable agreement between the theoretical and computed structure factors supports the picture of the coarse-graining process during polymer collapse.

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10.1209/epl/i2002-00207-5