Stochastic modeling of aggregation and floculation processes in chemestry

Abstract : We center our interest in the Population Balance Equation (PBE). This equation describes the time evolution of systems of colloidal particles in terms of its number density function (NDF) where processes of aggregation and breakage are involved. In the first part, we investigated the formation of groups of particles using the available variables and the relative importance of these variables in the formation of the groups. We use data in (Vlieghe 2014) and exploratory techniques like principal component analysis, cluster analysis and discriminant analysis. We used this scheme of analysis for the initial population of particles as well as in the resulting populations under different hydrodynamics conditions. In the second part we studied the use of the PBE in terms of the moments of the NDF, and the Quadrature Method of Moments (QMOM) and the Generalized Minimal Extrapolation (GME), in order to recover the time evolution of a finite set of standard moments of the NDF. The QMOM methods uses an application of the Product-Difference algorithm and GME recovers a discrete non-negative measure given a finite set of its standard moments. In the third part, we proposed an discretization scheme in order to find a numerical approximation to the solution of the PBE. We used three cases where the analytical solution is known (Silva et al. 2011) in order to compare the theoretical solution to the approximation found with the discretization scheme. In the last part, we proposed a method for estimate the parameters involved in the modelization of aggregation and breakage processes in PBE. The method uses the numerical approximation found, as well as the Extended Kalman Filter. The method estimates iteratively the parameters at each time, using an non- linear Least Square Estimator.
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Daniel Paredes Moreno. Stochastic modeling of aggregation and floculation processes in chemestry. Modeling and Simulation. Université Paul Sabatier - Toulouse III, 2017. English. ⟨NNT : 2017TOU30368⟩. ⟨tel-02009796⟩

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