Technical Report 127, c4e-Preprint Series, Cambridge

Stochastic solution of population balance equations for reactor networks

ref: Technical Report 127, c4e-Preprint Series, Cambridge

Associated Theme: Nanoparticles

Abstract

This work presents a sequential modular approach to solve a generic network of reactors with a population balance model using a stochastic numerical method. Full-coupling to the gas-phase is achieved through operator-splitting. The convergence of the stochastic particle algorithm in test networks is evaluated as a function of network size, recycle fraction and numerical parameters. These test cases are used to identify methods through which systematic and statistical error may be reduced, including by use of stochastic weighted algorithms. The optimal algorithm was subsequently used to solve a one-dimensional example of silicon nanoparticle synthesis using a multivariate particle model. This example demonstrated the power of stochastic methods in resolving particle structure by investigating the transient and spatial evolution of primary polydispersity, degree of sintering and TEM-style images.

Material from this preprint has been published in: Journal of Computational Physics 256, 615-629, (2014)

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