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  Collapse dynamics of a polymer chain: Theory and simulation

Abrams, C. F., Lee, N. K., & Obukhov, S. P. (2002). Collapse dynamics of a polymer chain: Theory and simulation. Europhysics Letters, 59(3), 391-397.

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 Creators:
Abrams, C. F.1, Author           
Lee, N. K.1, Author           
Obukhov, S. P.1, Author           
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

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 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 similar to t monomers. These segments are statistical quantities representing cylinders of length Rsimilar tot(1/2) and diameter d similar to t(1/4), 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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Language(s): eng - English
 Dates: 2002-08
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: No review
 Identifiers: eDoc: 28343
ISI: 000177304600012
Other: P-02-107
 Degree: -

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Title: Europhysics Letters
  Alternative Title : Europhys. Lett.
Source Genre: Journal
 Creator(s):
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Publ. Info: -
Pages: - Volume / Issue: 59 (3) Sequence Number: - Start / End Page: 391 - 397 Identifier: ISSN: 0295-5075