Abstract
A simplified model of the star-branched and linear polymers was studied by the means of the computer simulations. The model chains were built on a simple cubic lattice forming star-branched polymers consisting of f = 3 arms of equal lengths. The simulations were carried out in a wide range of temperaturesfrom a random coil to a collapsed globule regime. The replica exchange Monte Carlo method was used for calculation of properties of the model system. The detailed comparison of this new method with the classical Metropolis scheme, which uses simulated annealing. It was shown that the Metropolis algorithm is correct for high temperatures. In the transition region and below the transition temperature the results obtained by the two methods differ significantly. The replica exchange technique finds lower energy states than the other method. The temperature of the coil−globule transition calculated using the RE algorithm is usually slightly shifted toward lower temperatures. The differences increase moderatel...
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
