Monte Carlo Simulation On The Hyperbranched Polymers Formed In Self-Condensing Vinyl Polymerization System With Unequal Reactivity

The average properties of two types of self-condensing vinyl polymerization systemsconsisting of inimers, monomers and core initiators are studied by the method of Monte Carlosimulation, in which the unequal reactivity is taken into account. Starting from thedevelopment of self-condensing vinyl polymerization (SCVP) in the related experiment,theory and simulation, we summarize the corresponding progresses proposed by severalgroups. Furthermore, the size distribution functions of two types of hyperbranched polymersare obtained by the method of Monte Carlo simulation based on the differential kineticequations for describing the growth of hyperbranched polymers in SCVP. In doing so, theother equilibrium features are also calculated. The various conditions in the SCVP systemsare discussed to provide some useful clues for regulating the dimension of the hyperbranchedpolymers in the relevant experiments.The dissertation for M.S. degree is mainly composed of following three chapters:Chapter1: Summary. The self-condensing vinyl polymerization system has beenoutlined from recent experiments, theories and simulations, respectively. As a result, therelevant statistical properties of the hyperbranched polymers prepared by the SCVP systemsare addressed.Chapter2: Monte Carlo simulation on the self-condensing vinyl polymerization systemin presence of core initiators with unequal reactivity. The size distribution functions of twotypes of hyperbranched polymers are obtained by the method of Monte Carlo simulationbased on the differential kinetic equations for describing the growth of hyperbranchedpolymers in SCVP. In detail, the effects of the reactivity differences in two types of activegroups, the molar ratio and functionality of core initiators on the weight-average degree ofpolymerization and the second radius of gyration of hyperbranched polymers with andwithout a core initiator are mainly discussed. This provides some useful clues for regulatingthe dimension of the hyperbranched polymers in the relevant experiments.Chapter3: Monte Carlo simulation on the ternary self-condensing vinyl polymerizationsystem composed of inimers, monomers and core initiators with unequal reactivity. Thesystem under consideration is clearly more complicated because of the addition of monomersand the variations of the dimension of hyperbranched polymers in the system are mainlyinvestigated. In this chapter, the effects of the reactivity differences in two types of active groups, the molar ratio of inimers, the molar ratio and functionality of core initiators on thesecond polymer moments, the second radius of gyration and the z-average radius of gyrationof hyperbranched polymers with and without a core initiator are studied. As a consequence, itis found that these factors play an important role in the spatial structures of hyperbranchedpolymers.