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

@article{Liu1994KineticsOG,
  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},
  year={1994},
  volume={4},
  pages={865-872}
}
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… 

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References

Numerical Methods in the Study of Critical Phenomena, I

  • J. Chem. Sac. Faraday Trans
  • 1953