Stochastic and deterministic models for nucleation and growth in non-isothermal and/or non-isobaric powder transformations

Céline Helbert 1 Eric Touboul 1, 2 Stéphane Perrin 3, 4, 5 Laurent Carraro 1 Michèle Pijolat 3, 4, 5
1 3MI-ENSMSE - Département Méthodes et Modèles Mathématiques pour l'Industrie
2 G2I-ENSMSE - Centre de Génie Industriel et Informatique
3 SPIN-ENSMSE - Centre Sciences des Processus Industriels et Naturels
4 ProcESS-ENSMSE - Département Procédés et évolution des systèmes avec solides
5 LPMG-EMSE - Laboratoire des Procédés en Milieux Granulaires
Abstract : The calculation of fractional conversion can be very difficult in certain cases of nucleation and growth transformations (Mampel assumptions): it has only been developed for a few shapes of grains (spheres, cylinders) and only in isobaric and isothermal conditions. Here, a stochastic model which is intrinsically independent on geometry and which stands for non-isobaric and/or non-isothermal reactions is presented. The numerical evaluation of this model can be carried out in two different ways. First a slow Monte Carlo approach which is valid for all kinds of shapes and external conditions is presented, then, a faster, more classical approach is given which allows changing external conditions but only for well-known shapes.
Keywords : Kinetic model Nucleation Growth Poisson process Monte Carlo simulation Numerical simulation
Document type :
Journal articles
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https://hal-emse.ccsd.cnrs.fr/emse-00609069
Contributor : Andrée-Aimée Toucas <>
Submitted on : Monday, July 18, 2011 - 9:28:11 AM
Last modification on : Thursday, October 17, 2019 - 12:34:35 PM

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LPMG-ENSMSE | SPIN-ENSMSE | PROCESS-ENSMSE | CNRS | 3MI-ENSMSE | G2I-ENSMSE | FAYOL-ENSMSE | EMSE | DEMO-ENSMSE | INSTITUT-TELECOM

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Céline Helbert, Eric Touboul, Stéphane Perrin, Laurent Carraro, Michèle Pijolat. Stochastic and deterministic models for nucleation and growth in non-isothermal and/or non-isobaric powder transformations. Chemical Engineering Science, Elsevier, 2004, 59 (7), pp.1393-1401. ⟨10.1016/j.ces.2003.12.004⟩. ⟨emse-00609069⟩

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