AIChE Journal · 2010 · 30 citations · 24 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryPhysical ChemistryReaction EngineeringChemical Kinetics ModelingComputational ModelingMonte Carlo MethodsMonte Carlo SimulationProcess SimulationSimulation MethodsGrowth MechanismsHeterogeneous Chemical ReactionsMonte Carlo Chemical SimulationOxidationParticulate ChemistryPopulation Balance ModelingPopulation Balance SimulationSurface Deposition
Abstract We present a complete simulation scheme for particulate processes based on the constant number Monte Carlo methodology. Specifically, the proposed scheme can be applied towards the solution of population balances that include nucleation, coagulation and surface deposition, coupled to chemical reactions. The synthesis of titania (TiO 2 ) by flame oxidation of TiCl 4 is employed as a comparison basis of the relative advantages and weaknesses of Monte Carlo against more classical numerical approaches. © 2010 American Institute of Chemical Engineers AIChE J, 2010
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