Stochastic parcel tracking in an Euler-Lagrange compartment model for
fast simulation of fermentation processes
Abstract
Compartment modeling (CM) is a well-known approach for computationally
affordable, spatially-resolved hydrodynamic modeling of unit operations.
Recent implementations use flow profiles based on CFD simulations, and
several authors included microbial kinetics to simulate gradients in
bioreactors. However, these studies relied on black-box kinetics, that
do not account for intra-cellular changes and cell population dynamics
in response to heterogeneous environments. In this paper, we report the
implementation of a Lagrangian reaction model, where the microbial phase
is tracked as a set of biomass-parcels, each linked with an
intra-cellular composition vector and a structured reaction model
describing their intra-cellular response to extracellular variations. A
stochastic parcel tracking approach is adopted, in contrast to the
resolved trajectories used in prior CFD implementations. A penicillin
production process is used as a case-study. We show good performance of
the model compared to full CFD simulations, both regarding the
extra-cellular gradients and intra-cellular pool response, provided the
mixing time in the CM matches the full CFD simulation; taking into
account that the mixing time is sensitive to the number of compartments.
The sensitivity of the model output towards some of the inputs is
explored. The coarsest representative CM requires a few minutes to solve
80 hours of flow time, compared to approx. 2 weeks for a full
Euler-Lagrange CFD simulation of the same case. This alleviates one of
the major bottlenecks for the application of such CFD simulations
towards analysis and optimization of industrial fermentation processes.