Understanding the interdependence of operating parameters in microbial electrosynthesis: a numerical investigation
Literature Information
Mobolaji Shemfe, J. Annie Modestra, S. Venkata Mohan
This study describes and evaluates a dynamic computational model for a two chamber microbial electrosynthesis (MES) system. The analysis is based on redox mediators and a two population model, describing bioelectrochemical kinetics at both anode and cathode. Mass transfer rates of the substrate and bacteria in the two chambers are combined with the kinetics and Ohm's law to derive an expression for the cell current density. The effect of operational parameters such as initial substrate concentration at the anode and cathode and the operation cycle time on MES performance is evaluated in terms of product formation rate, substrate consumption and coulombic efficiency (CE). For a fixed operation cycle time of 3 or 4 days, the anode and cathode initial substrate concentrations show linear relationship with product formation rate; however MES operation with a 2 day cycle time shows a more complex behaviour, with acetic acid production rates reaching a plateau and even a slight decrease at higher concentrations of the two substrates. It is also shown that there is a trade-off between product formation rate and substrate consumption and CE. MES performance for operation with cycle time being controlled by substrate consumption is also described. Results from the analysis demonstrate the interdependence of the system parameters and highlight the importance of multi-objective system optimization based on targeted end-use.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














