Collapse dynamics of a polymer chain: Theory and simulation
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 g ~ t monomers. These segments are statistical quantities representing cylinders of length R ~ t^{1/2} and diameter but structured out of stretched arrays of spherical globules. This prescription incorporates the capillary instability. We compare the timedependent structure factor derived for our theory with that obtained from ultralargescale moleculardynamics 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 coarsegraining process during polymer collapse.
 Publication:

EPL (Europhysics Letters)
 Pub Date:
 August 2002
 DOI:
 10.1209/epl/i2002002075
 arXiv:
 arXiv:condmat/0110491
 Bibcode:
 2002EL.....59..391A
 Keywords:

 61.25.Hq;
 64.60.Ak;
 83.10.Rs;
 Macromolecular and polymer solutions;
 polymer melts;
 swelling;
 Renormalizationgroup fractal and percolation studies of phase transitions;
 Computer simulation of molecular and particle dynamics;
 Condensed Matter  Soft Condensed Matter
 EPrint:
 4 pages, 3 figures