Abstract

Monte Carlo simulations of polymer chains in off-lattice systems under theta and athermal conditions have been performed in order to support results obtained for cubic lattice chains in assemblies of varying concentration. Global as well as local quantities are investigated in detail in order to point out the differences as well as the similarities of the results and the reliability of the two models, especially with respect to local packing effects. Furthermore, the results are discussed with reference to theoretical predictions of the scaling theory. Probably the most important finding is the fact that an isolated θ chain and a chain in bulk exhibit totally different microscopic structures (which is in full concordance with our previous lattice simulations), although the global dimensions of bulk polymers tend to converge to the values of an isolated θ chain.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.