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Author(s):
M. Tanaka, A. Yu Grosberg and T. Tanaka
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Title:
Comparison of Multichain Coulomb Polymers in Isolated and Periodic Systems: Molecular Dynamics Study
Date of publication:
Jan. 1999
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Key words:
molecular dynamics, periodic boundary conditions, the Ewald's sum, multichain polyampholyte, strongly-coupled Coulomb system, salt electrolyte solution
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Abstract:
The effects of periodic boundary conditions are examined for multichain Coulomb polymers that are composed of both positively and negatively-charged monomers (polyampholyte). At high temperature, polyampholyte takes a large volume with its chains spreading homogeneously in the whole domain. At low temperature where the Coulomb energy prevails over the thermal energy, the polyampholyte is collapsed to form a globule. The resultant globule is somewhat more compressed than that in an isolated (wall-bound) system. The effect of added salt is also mentioned briefly.
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