Abstract
Abstract A coarse-grained model of a many-arm star-branched polymer chain has been studied. The chains were flexible heteropolymers built of two kinds of united atoms (segments) – hydrophobic and hydrophilic. The positions of segments were restricted to the vertices of a [310] hybrid lattice. The force field consisted of the softened excluded volume and the long-distance potential between a pair of non-bonded segments. The properties of these macromolecular models were studied in a wide range of temperatures from random coil to dense globule states. Monte Carlo simulations were performed using an algorithm based on the chain’s local changes of conformation and employing the Replica Exchange technique. The influence of the polymer length, the sequence of segments in the chain and the temperature on the dimension and the structure of chains have been studied. It has been shown that the process of the heteropolymer chain collapse to low-temperature structures is a complicated phenomenon and a possible explanation of this behavior has been discussed.
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.
