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The crystallization behaviors of three types of polymer systems grafted on a flat solid substrate with different grafting densities were investigated by dynamic Monte Carlo simulations. For both of the systems with low and medium grafting densities, nucleation induction period becomes shorter with the increasing polymer-substrate interactions. However, the nucleation mechanisms are different. For...
Polymer chains were usually grafted on filler to strengthen mechanical property. In this work, dynamic Monte Carlo simulations of cubic lattice model were preformed to investigate the microscopic process of crystallization behaviors of polymers grafted on two-dimensional filler. Some experimental results were reproduced and the microscopic mechanism was studied in detail. Grafted polymers have shorter...
Understanding of crystal nucleation mechanism of nanohybrid shish-kebab (NHSK) structures will guide researchers to design new polymer materials with high performance. We performed dynamic Monte Carlo simulations to reveal the nucleation details of the NHSK structures in polymer solutions at molecular scale. The formation of the NHSK structures was induced by nanofillers with small lateral size under...
This work theoretically deals with the kinetics of the hyperbranched polymerization with A2, AB and B3 monomers. The analytical expressions of the size distribution function and the various molecular parameters of the resulting hyperbranched polymers were derived. The structure and molecular parameters of the products depend on the monomer feed ratios and the conversion of groups. Gelation is easy...
This work is theoretically dealt with the kinetics of polycondensation of AB 2 -type monomers in the presence of multifunctional cores (C f ) with various reactivities. The analytical expressions of the molecular size distribution function and the molecular parameters of the resultant hyperbranched polymers were derived. The conversion of A groups (x), feed ratio of the core/monomer...
The kinetics of copolycondensation of A 2 and CB 2 monomers with non-equal reactivity was investigated in detail. The analytical expressions of the molecular size distribution function, the average degree of polymerization, and the polydispersity index of the products obtained were derived. The gelation may take place in the range of the monomer feed ratio (λ) of A 2 to CB...
This work theoretically deals with the kinetics of the co-polycondensation of AB 2 and AB type monomers in the presence of multi-functional cores. The analytical expressions of the molecular size distribution function and the molecular parameters of the resultant hyperbranched polymers were derived. The general expressions are applicable for the copolymerization of AB 2 and AB monomers...
Taking account of the difference of reactivities between C and B group, the evolution of the monomers and the various structural units formed from the polyaddition of A 2 and CB 2 monomers was investigated by the kinetic mechanism. The calculated results theoretically explain the experimental data observed in our previous works very well, if the reactivity ratio of C to B groups is...
By kinetic model, the analytical expression of the distribution function for the hyperbranched polymers formed from AB 2 type polycondensation with substitution effect was derived. The results are compared to those for self-condensing vinyl polymerization of AB* monomers. Reaction becomes faster with the increasing reactivity of a linear B group. At any finite conversion of A group, both average...
A modified form of the van der Waals expression for the attractive intermolecular potential E=−η/V m has often been used to take account of the acentric character of the potential function, where V is the volume, η a mean-field parameter representing the strength of the interaction field, and m an empirical parameter, usually a constant in the range 1–2. In this article, we have attempted...
According to the six-state scheme proposed by Vacatello and Flory, the mean-square dipole moments <M 2 >/x (x: number of monomeric units) of poly(methyl methacrylate) (PMMA) chains and their temperature dependence dln<M 2 >/dT were calculated by the matrix algebra method of rotational isomeric state theory. To take account of the orientation effect of polar ester groups,...
This paper developed a kinetic model for the polycondensation of ABg type monomers with a multifunctional core (RBf), giving the expressions of the molecular weight distribution function and average molecular weights of the resulting hyperbranched polymers. During the polycondensation both g and f markedly influence on the width of the molecular weight distribution of the products. When the reaction...
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