Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
100 (1994), S. 719-724
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We are presenting a new method to measure the chemical potential of polymer chains in computer simulations which has virtually no limitations in chain length. The method uses a thermodynamic integration over the excluded volume interaction of a ghost chain to determine its excess chemical potential. It is exemplified with a Monte Carlo simulation of the athermal bondflucutation model for various densities and the chain lengths N=20,50,80. Furthermore, the osmotic equation of state and the entropy density are determined.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.466937
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