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A hybrid kinetic-thermodynamic Monte Carlo model for simulation of homogeneous burst nucleation

Author

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  • Sabelfeld Karl K.

    (Institute of Computational Mathematics and Mathematical Geophysics, Russian Academy of Sciences, Lavrentiev Str., 6, 630090Novosibirsk, Russia)

  • Eremeev Georgy

    (Novosibirsk State University, Pirogova Str., 1, 630090Novosibirsk, Russia)

Abstract

We develop in this paper a hybrid kinetic Monte Carlo and continuous thermodynamically based model for the simulation of homogeneous nucleation under burst regime when a long incubation time is followed by rapid nucleation of stable nuclei. In this model we assume that the kinetics of particle nucleation and disaggregation is governed by a Smoluchowski equation while the size of a stable nuclei is taken from the thermodynamic theory of nucleation with varying supersaturation under metastable conditions. We show that the Smoluchowski equations without the metastable conditions cannot describe the regime of burst nucleation showing the following general feature: the longer the incubation time, the slower the nucleation rate even if a multiple disaggregation is assumed. In contrast, a combined hybrid Monte Carlo and metastable thermodynamic model suggested is able to predict a long incubation time followed by rapid nucleation regime. A series of numerical simulations presented supports this conclusion.

Suggested Citation

  • Sabelfeld Karl K. & Eremeev Georgy, 2018. "A hybrid kinetic-thermodynamic Monte Carlo model for simulation of homogeneous burst nucleation," Monte Carlo Methods and Applications, De Gruyter, vol. 24(3), pages 193-202, September.
    • Handle: RePEc:bpj:mcmeap:v:24:y:2018:i:3:p:193-202:n:4
    DOI: 10.1515/mcma-2018-0017
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    References listed on IDEAS

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    1. Sabelfeld K.K. & Rogasinsky S.V. & Kolodko A.A. & Levykin A.I., 1996. "Stochastic algorithms for solving Smolouchovsky coagulation equation and applications to aerosol growth simulation," Monte Carlo Methods and Applications, De Gruyter, vol. 2(1), pages 41-88, December.
    2. Kolodko A. A. & Sabelfeld K. K., 2001. "Stochastic Lagrangian model for spatially inhomogeneous Smoluchowski equation governing coagulating and diffusing particles," Monte Carlo Methods and Applications, De Gruyter, vol. 7(3-4), pages 223-228, December.
    3. Kolodko A. & Sabelfeld K., 2003. "Stochastic particle methods for Smoluchowski coagulation equation: variance reduction and error estimations," Monte Carlo Methods and Applications, De Gruyter, vol. 9(4), pages 315-339, December.
    4. Sabelfeld K.K. & Kurbanmuradov O., 1997. "Stochastic Lagrangian Models for Two-Particle Motion in Turbulent Flows," Monte Carlo Methods and Applications, De Gruyter, vol. 3(1), pages 53-72, December.
    5. Sabelfeld K.K. & Kolodko A.A., 1997. "Monte Carlo simulation of the coagulation processes governed by Smoluchowski equation with random coefficients," Monte Carlo Methods and Applications, De Gruyter, vol. 3(4), pages 275-312, December.
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