Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.2000250
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dc.titleMonte Carlo simulations of conformations of chain molecules in a cylindrical pore
dc.contributor.authorChen, S.B.
dc.date.accessioned2014-10-09T06:54:27Z
dc.date.available2014-10-09T06:54:27Z
dc.date.issued2005
dc.identifier.citationChen, 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
dc.identifier.issn00219606
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/89498
dc.description.abstractOff-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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1063/1.2000250
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1063/1.2000250
dc.description.sourcetitleJournal of Chemical Physics
dc.description.volume123
dc.description.issue7
dc.description.page-
dc.description.codenJCPSA
dc.identifier.isiut000231449700053
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