Abstract
A polymer growth Hamiltonian with an accompanying novel lattice has been constructed to model reaction dynamics of polydisperse polymer systems that have kinetics affected by an environment which is altered over time by the polymerization process itself. Monte Carlo dynamics are used to simulate the polymerization process with bond breaking/formation moves analogous to a correlated percolation model. Lattice events thus occur on the time scale of reactivity rather than the much shorter time scales of either monomer motion or conformational dynamics, though an effort is made to include the latter as well. The equilibrium behavior of the system has been well mapped out and is complex enough to model a variety of real polymer systems such as solid state polymerization, living polymers and thermosetting polymers. Detailed equilibrium structural information such as molecular weight distributions and extent of cross polymerization have been obtained. Pseudodynamic information such as the time-dependence in the polymer weight distribution and more detailed quantities may also be obtained with respect to Monte Carlo time scales.
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.
