Kinetics of gelation growth in a sol-gel transition by a computer-simulation model

  title={Kinetics of gelation growth in a sol-gel transition by a computer-simulation model},
  author={Yi-min Liu and Ras B. Pandey},
  journal={Journal De Physique Ii},
A computer simulation model is used to study the kinetics of gelation of a low concentration of bifunctional (C 2 ) and tetrafunctional (C 4 ) monomers on a simple cubic lattice. The mobilities of the monomers and the microgels particles are considered. Monomers react with their neighbors with a certain probability after hopping with a fixed number of steps. Growth of the concentration of saturated bonds, weight average degree polymerization, and the volume fraction of the gel are studied as a… 


kinetics of non-linear free radical copolymerization of vinyl-divinyl monomer mixtures or chemical gelation, and to characterize kinetic effects on polymerization statistics and microstructures. New

Sol–gel phase transitions in thermoreversible gels: Onset of gelation and melting

A Monte Carlo simulation model is proposed to study the phase transition and the structural evolution of thermoreversible gels with the coexistence of phase separation and gelation processes. Our

Monte Carlo Simulation of Non-linear Free Radical Polymerization Using a Percolation Kinetic Gelation Model (II): Free Radical Copolymerization

A kinetic gelation model that incorporates the kinetics of free radical homo- polymerizationis implemented to determine the effects of kinetics on poly- merization statistics and microstructures. The

A molecular dynamics study of chemical gelation in a patchy particle model.

This study shows that irreversibly aggregating asymmetric hard-core patchy particles may provide a close realization of the mean-field model, for which available theoretical predictions may help control the structure and the connectivity of the gel state.

Frustrated Spring-Network Model for Crosslinked Polymer Surfaces

We present a simplified model to study the surface structure of a crosslinked polymer gel. The model consists of a two-dimensional spring network on a triangular lattice. The nodes represent the

Modeling the sol–gel synthesis route of amorphous Si3B3N7

The amorphous high-performance ceramic a-Si3B3N7 can only be synthesized via a sol–gel process. Using a separation of time scales approach, we model various aspects of the sol–gel process explicitly


Numerical Methods in the Study of Critical Phenomena, I

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  • 1953