Two methods for sensitivity analysis of coagulation processes in population balances by a Monte Carlo method

We consider two stochastic simulation algorithms for the calculation of parametric derivatives of solutions of a population balance equation, namely, forward and adjoint sensitivity methods. The dispersed system is approximated by an N-particle stochastic weighted ensemble. The infinitesimal deviations of the solution are accounted for through infinitesimal deviation of the statistical weights that are recalculated at each coagulation. In the forward method these deviations of the statistical weights immediately give parametric derivatives of the solution. In the second method the deviations of the statistical weights are used to calculate a finite-mode approximation of the linearized version of the population balance equation. The linearized equation allows for the calculation of the eigenmodes and eigenvalues of the process, while the parametric derivatives of the solution are given by a Lagrange formalism.

[1]  Markus Kraft,et al.  A Monte Carlo methods for identification and sensitivity analysis of coagulation processes , 2004 .

[2]  Markus Kraft,et al.  Simulation of coalescence and breakage: an assessment of two stochastic methods suitable for simulating liquid–liquid extraction , 2004 .

[3]  Zhao Haibo,et al.  Multi-Monte Carlo approach for general dynamic equation considering simultaneous particle coagulation and breakage , 2005 .

[4]  M. A. Henson Dynamic modeling of microbial cell populations. , 2003, Current opinion in biotechnology.

[5]  Kangtaek Lee,et al.  Solution of the population balance equation using constant-number Monte Carlo , 2002 .

[6]  S. Pope PDF methods for turbulent reactive flows , 1985 .

[7]  Michael J. Hounslow,et al.  Population balance modelling of droplet coalescence and break-up in an oscillatory baffled reactor , 2004 .

[8]  F. Einar Kruis,et al.  Direct simulation Monte Carlo for simultaneous nucleation, coagulation, and surface growth in dispersed systems , 2004 .

[9]  Paul R. Mort,et al.  Scale-up of binder agglomeration processes , 2005 .

[10]  Condensation/coagulation kinetics for mixture of liquid and solid particles: analytical solutions , 2002 .

[11]  W. Wagner,et al.  Reduction of the Number of Particles in the Stochastic Weighted Particle Method for the Boltzmann Equation , 1998 .

[12]  Andreas Eibeck,et al.  Stochastic Particle Approximations for Smoluchoski’s Coagualtion Equation , 2001 .

[13]  Peter J.T. Verheijen,et al.  Optimal Design of Solution Crystallization Processes with Rigorous Models , 2003 .

[14]  M. Kraft,et al.  A stochastic approach to calculate the particle size distribution function of soot particles in laminar premixed flames , 2003 .

[15]  Markus Kraft,et al.  Droplets population balance in a rotating disc contactor: An inverse problem approach , 2006 .

[16]  Costas Tsouris,et al.  Breakage and coalescence models for drops in turbulent dispersions , 1994 .

[17]  Octave Levenspiel,et al.  A Monte Carlo treatment for reacting and coalescing dispersed phase systems , 1965 .

[18]  Achim Kienle,et al.  A numerical bifurcation analysis of nonlinear oscillations in crystallization processes , 2002 .

[19]  Francis J. Doyle,et al.  Hierarchical multiobjective strategy for particle‐size distribution control , 2003 .

[20]  Graeme A. Bird,et al.  Molecular Gas Dynamics , 1976 .

[21]  Themis Matsoukas,et al.  Constant-number Monte Carlo simulation of population balances , 1998 .

[22]  Markus Kraft,et al.  An efficient stochastic algorithm for simulating Nano-particle dynamics , 2002 .