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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2024-11-23 17:51 |
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Conference: Bucharest University Faculty of Physics 2023 Meeting
Section: Polymer Physics
Title:
Investigating the Effect of Chain Length on Polymer Conformation Using Monte Carlo Simulation
Authors:
Catalin BERLIC(1), Eduard GATIN(1,2), Daciana ZMARANDACHE(3), Adrian BERLIC(1), Diana-Lavinia STAN(1)
Affiliation:
1) University of Bucharest, Faculty of Physics, 405 Atomistilor Street, 077125, Magurele, Romania
2) University of Medicine “Carol Davila”, Faculty of Medicine, Blv. Eroii Sanitari 8, Sector 5, Bucharest, Romania
3) University of Medicine “Carol Davila”, Faculty of Dental Medicine, Blv. Eroii Sanitari 8, Sector 5, Bucharest, Romania
E-mail
cataliniulian.berlic@g.unibuc.ro
Keywords:
polymer configuration, chain length, Monte Carlo simulation, radius of gyration, end-to-end distance, spatial organization
Abstract:
In this study, we use Monte Carlo simulation to investigate the effect of chain length on the configuration of polymers. By systematically varying the chain length parameter, we explore how changes in polymer length influence key structural properties, including the radius of gyration, end-to-end distance, and spatial organization. Our Monte Carlo simulation methodology incorporates realistic interatomic potentials and considers factors such as temperature and solvent interactions. Starting with an extended polymer chain, we implement a range of simulation protocols to explore the configurational space and sample various conformations. The simulation results reveal trends in polymer configuration as chain length is varied. Shorter chains tend to adopt more compact conformations with smaller radii of gyration and end-to-end distances. As the chain length increases, polymers exhibit a greater degree of chain stiffness and extended conformations become more prevalent. Additionally, we investigate the influence of chain length on the occurrence of entanglements, chain entropies, and conformational transitions.
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