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Dynamics of a polymer chain in an array of obstacles

✍ Scribed by S.K. Nechaev; A.N. Semenov; M.K. Koleva

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
613 KB
Volume
140
Category
Article
ISSN
0378-4371

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✦ Synopsis

On the basis of the model "polymer chain in an array of obstacles" the influence of the topology effects on the dynamics of concentrated polymer systems is investigated theoretically. The 1 /z-expansion (where z is the coordinational number of the lattice of obstacles) is proposed for this problem. By means of this expansion the diffusion coefficient of a linear unclosed polymer chain is calculated. The equilibrium properties of linear closed chain (i.e. ring) unentangled with either of the edges of the lattice are investigated in detail. In particular, it is shown that the diffusion coefficient D of the center of mass of closed chain consisting of N links is proportional to N-5'2.

πŸ“œ SIMILAR VOLUMES

Polymer chain in an array of obstacles
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✍ A.R. Khokhlov; S.K. Nechaev πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 365 KB
Molecular dynamics simulation of a polym
Molecular dynamics simulation of a polymer chain in solution by collisional dynamics method
✍ LEMAK, A. S.; BALABAEV, N. K. πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 834 KB

This article describes the collisional dynamics (CD) method adapted for molecules with geometrical constraints within a description using Cartesian coordinates for the atoms. In the CD method, stochastic collisions with virtual particles are included in usual molecular dynamics simulations to couple