Brownian dynamics study of a polymer chain of linked rigid bodies. II. Results for longer chains
- 1 April 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (7) , 3939-3947
- https://doi.org/10.1063/1.439663
Abstract
As an extension of a previous paper, computer simulation results for a polymer chain of linked rigid bodies are presented for chains with between four and fifteen bonds. Previous theoretical results for a three‐bond chain are found by computer simulation to apply to longer chains. In particular, a Fixman potential for an N‐bond chain is developed as the sum of three‐bond Fixman potentials, and transition state rates measured in computer simulation for a four‐bond chain compare reasonably well with the theory for a three‐bond chain. A further study of the motion of the free end of a chain with one end fixed indicates correlation effects diminish the possibility of a ’’whipping motion’’ of the chain end.Keywords
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