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A Monte Carlo simulation of coagulation

Author

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  • Garcia, Alejandro L.
  • van den Broeck, Christian
  • Aertsens, Marc
  • Serneels, Roger

Abstract

A Monte Carlo simulation technique is described for the study of the coagulation of suspended particles. The method is computationally efficient since the particle trajectories are not used to determine coagulations. Instead, pairs of particles are assigned probabilities to coagulate and the evolution is computed as a stochastic Markov game. We also describe a simple analytic method to obtain the stationary distribution of sizes for the various mechanisms of relative particle motion. It is demonstrated that the simulation yields the correct stationary size distribution independent of initial condition.

Suggested Citation

  • Garcia, Alejandro L. & van den Broeck, Christian & Aertsens, Marc & Serneels, Roger, 1987. "A Monte Carlo simulation of coagulation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 143(3), pages 535-546.
  • Handle: RePEc:eee:phsmap:v:143:y:1987:i:3:p:535-546
    DOI: 10.1016/0378-4371(87)90164-6
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    References listed on IDEAS

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    1. Lemarchand, H. & Nicolis, G., 1976. "Long range correlations and the onset of chemical instabilities," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 82(4), pages 521-542.
    2. Van den Broeck, C. & Houard, J. & Malek Mansour, M., 1980. "Chapman-Enskog development of the multivariate master equation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 101(1), pages 167-184.
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    Cited by:

    1. Sabelfeld, Karl K., 2018. "A random walk on spheres based kinetic Monte Carlo method for simulation of the fluctuation-limited bimolecular reactions," Mathematics and Computers in Simulation (MATCOM), Elsevier, vol. 143(C), pages 46-56.
    2. Wagner, Wolfgang, 2003. "Stochastic, analytic and numerical aspects of coagulation processes," Mathematics and Computers in Simulation (MATCOM), Elsevier, vol. 62(3), pages 265-275.
    3. Aertsens, Marc, 1988. "Simulation of the front deformation by diffusion induced coagulation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 151(2), pages 193-206.
    4. Eibeck Andreas & Wagner Wolfgang, 2001. "Stochastic algorithms for studying coagulation dynamics and gelation phenomena," Monte Carlo Methods and Applications, De Gruyter, vol. 7(1-2), pages 157-166, December.
    5. Wei, Jianming, 2014. "A parallel Monte Carlo method for population balance modeling of particulate processes using bookkeeping strategy," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 402(C), pages 186-197.

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