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

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...

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Veröffentlicht in:Chemical engineering science 2004-04, Vol.59 (7), p.1393-1401
Hauptverfasser: Helbert, Céline, Touboul, Eric, Perrin, Stéphane, Carraro, Laurent, Pijolat, Michèle
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container_end_page 1401
container_issue 7
container_start_page 1393
container_title Chemical engineering science
container_volume 59
creator Helbert, Céline
Touboul, Eric
Perrin, Stéphane
Carraro, Laurent
Pijolat, Michèle
description 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.
doi_str_mv 10.1016/j.ces.2003.12.004
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subjects Applied sciences
Chemical and Process Engineering
Chemical engineering
Engineering Sciences
Exact sciences and technology
Growth
Kinetic model
Miscellaneous
Monte Carlo simulation
Nucleation
Numerical simulation
Poisson process
title Stochastic and deterministic models for nucleation and growth in non-isothermal and/or non-isobaric powder transformations
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