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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2024-11-23 18:33 |
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Conference: Bucharest University Faculty of Physics 2016 Meeting
Section: Polymer Physics
Title:
Computer Modeling of Polymeric Chains
Authors:
Emil BARNA(1), Catalin BERLIC(1), Valentin BARNA(1), Daciana ZMARANDACHE(2), Bogdan BUTOI(1,3), Eduard GATIN(1)
Affiliation:
1)University of Bucharest, Faculty of Physics, P.O.BOX MG-11, Magurele, Bucharest, Romania
2)“Carol Davila” University of Medicine and Pharmacy, Faculty of Dental Medicine, Bucharest, Romania
3)National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor Street, Magurele, Romania
E-mail
cataliniulian.berlic@g.unibuc.ro
Keywords:
Monte Carlo simulations, polymeric chain, gaussina chain, bead spring model
Abstract:
We present the results of Monte Carlo simulations of the properties of some linear polymeric chains. The simulations were performed in the canonical ensemble that is widely used for the investigations of the polymer dynamics. We used both the free, gaussian, chain model and the more elaborate bead-spring model of a macromolecule.
We first obtained the radius of gyration of the polymer as a function chain length and we compared the values obtained for these models. For the gaussian chain, we compared the result with those obtained from theory. Both models were also used for calculation of the end-to-end distance of the polymeric chain.
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