The physical and chemical properties of the hyperbranched polymers are similar to those of dendrimers

meanwhile

the hyperbranched polymers have some unique features

such as simple synthesis

broad molecular weight distribution

and the formation of their structures depends on the polymerization progress.The latest progress of simulation studies on kinetics of hyperbranched polymerization was reported in this paper.The dimensional bond fluctuation coarse-grained reactive lattice model was firstly developed to study the general rules of hyperbranched polymerization with the consideration of steric factors

intramolecular rings and the influence of the substituent effect.Furthermore

in order to quantitatively describe the structural information of monomer and polymer

a combined multiscale simulation method has been developed

and the coarse-grained force field is extracted with the method of iterative Boltzmann inversion.Then the coarse-grained reactive model combining the molecular dynamics and reactive Monte Carlo can be used to simulate the hyperbranched polymerization quantitatively.The multiscale model can be used not only for the accurate estimation of the general properties of hyperbranched polymers like degree of polymerization

polydispersity index and degree of branching

but also for achieving the important information of molecular structures

such as the intramolecular ring probability and the conformation of the hyperbranched polymer

and it is valuable in the fundamental research of hyperbranched polymerization.