Computer Simulation of Chains in Solution and Bulk State

H. L. Frisch, Marvin Bishop, D. Ceperley, M. H. Kalos

Research output: Contribution to journalArticlepeer-review


We briefly describe the results of preliminary tests of Monte Carlo and molecular dynamics simulations of static and dynamic properties of a simplified continuum model of polymer chain systems in solution and in bulk melts in the context of other studies in this field. In particular, reptation Monte Carlo studies of these continuum multichain systems at reduced chain densities of 0.3 and 0.5 for chains of up to 70 segments give the same exponent for the segment dependence as found by De Vos and Bellemans for chains on lattices.

Original languageEnglish (US)
Pages (from-to)453-459
Number of pages7
JournalJournal of Macromolecular Science, Part B
Issue number3
StatePublished - Jan 1 1980
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Polymers and Plastics
  • Materials Chemistry


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