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The scaling behavior of the second virial coefficient of linear and ring polymer

Li, Bing and Sun, Zhaoyang and An, Lijia and Wang, Zhen-Gang (2016) The scaling behavior of the second virial coefficient of linear and ring polymer. Science China Chemistry, 59 (5). pp. 619-623. ISSN 1674-7291. doi:10.1007/s11426-015-5531-6. https://resolver.caltech.edu/CaltechAUTHORS:20160602-150436719

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Abstract

The scaling behavior of the second virial coefficient of ring polymers at the theta temperature of the corresponding linear polymer (θ_L) is investigated by off-lattice Monte Carlo simulations. The effects of the solvents are modeled by pairwise interaction between polymer monomers in this approach. Using the umbrella sampling, we calculate the effective potential U(r) between two ring polymers as well as the second virial coefficient A_2 of ring polymers at θ_L, which results from a combination of 3-body interactions and topological constraints. The trend in the strength of the effective potential with respect to chain length shows a non-monotonic behavior, differently from that caused only by topological constraints. Our simulation suggests that there are three regimes about the scaling behavior of A_2 of ring polymers at θ_L: 3-body interactions dominating regime, the crossover regime, and the topological constraints dominating regime.


Item Type:Article
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URLURL TypeDescription
http://dx.doi.org/10.1007/s11426-015-5531-6DOIArticle
http://link.springer.com/article/10.1007%2Fs11426-015-5531-6PublisherArticle
http://rdcu.be/ts5LPublisherFree ReadCube access
ORCID:
AuthorORCID
Wang, Zhen-Gang0000-0002-3361-6114
Additional Information:© 2015 Science China Press and Springer-Verlag. Received August 29, 2015; accepted September 25, 2015; published online December 30, 2015. This work was supported by the National Basic Research Program of China (2012CB821500) and the National Natural Science Foundation of China (21222407, 21474111). The authors declare that they have no conflict of interest
Funders:
Funding AgencyGrant Number
National Basic Research Program of China2012CB821500
National Natural Science Foundation of China21222407
National Natural Science Foundation of China21474111
Subject Keywords:second virial coefficient; topological constraints; 3-body interactions; theta temperature; scaling behavior
Issue or Number:5
DOI:10.1007/s11426-015-5531-6
Record Number:CaltechAUTHORS:20160602-150436719
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160602-150436719
Official Citation:Li B, Sun ZY, An LJ, Wang ZG. The scaling behavior of the second virial coefficient of linear and ring polymer. Sci China Chem, 2016, 59: 619–623, doi: 10.1007/s11426-015-5531-6
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:67588
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:02 Jun 2016 22:32
Last Modified:11 Nov 2021 03:51

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