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
Type de document :
Article dans une revue
Chemical Engineering Science, Elsevier, 2004, 59 (7), pp.1393-1401. 〈10.1016/j.ces.2003.12.004〉
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https://hal-emse.ccsd.cnrs.fr/emse-00609069
Contributeur : Andrée-Aimée Toucas <>
Soumis le : lundi 18 juillet 2011 - 09:28:11
Dernière modification le : jeudi 11 janvier 2018 - 06:21:23

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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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