Abstract
We have simulated the dynamics of a model polymer chain immersed in a solvent. The polymer is represented by a nonamer whose nearest neighbors are linked through a harmonic potential. In addition to this all particles are assumed to interact via a Lennard-Jones potential and the simulations have been performed at a temperature and density which correspond to the triple point of L-J fluids. Equilibrium properties of the chain such as end-to-end distance, radius of gyration, and polymer asphericity are computed. The self-diffusion coefficient and autocorrelation functions of various dynamical variables have also been calculated. All these results have been compared with our previous results obtained on the basis of a bead–rod model for the chain.
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.
