Simulation of (bio)chemical processes with distributed parameters using Matlab®

Nowadays, simulations have become indispensable for the analysis and optimisation of (bio)chemical processes. However, as a lot of these processes are distributed in nature (i.e., the properties vary both in time and space), their simulation requires the solution of non-linear convection–reaction–diffusion partial differential equations (PDEs). Therefore, this paper compares different solution methods in a comprehensible way in order to provide practical guidelines. Moreover, to stimulate their usage in practice, all techniques have been implemented in Matlab®, and all test examples have been made available (www.matmol.org). This allows practitioners to rapidly evaluate different methods when setting-up their own process simulation code. Finally, a complex reverse flow reactor case illustrates how these methods can be successfully combined with optimisation approaches.