Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2000250
Title: Monte Carlo simulations of conformations of chain molecules in a cylindrical pore
Authors: Chen, S.B. 
Issue Date: 2005
Citation: Chen, S.B. (2005). Monte Carlo simulations of conformations of chain molecules in a cylindrical pore. Journal of Chemical Physics 123 (7) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2000250
Abstract: Off-lattice Monte Carlo simulations are employed to study the behavior of chain molecules confined in a long cylindrical pore under the condition of hard-body interaction. The emphasis is placed on the chain and bead distributions as well as the location dependence of the chain conformation and anisotropy. The simulation results show that the chains very near the pore surface tend to wrap around the surface in various configurations. This behavior is qualitatively similar to that of the chains near but outside a cylindrical rod. Moreover, the bead concentration near the pore surface increases with increasing surface curvature. © 2005 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/89498
ISSN: 00219606
DOI: 10.1063/1.2000250
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