title: A Multiple Reaction Modelling Framework for Microbial Electrochemical Technologies.
abstract: A mathematical model for the theoretical evaluation of microbial electrochemical technologies (METs) is presented that incorporates a detailed physico-chemical framework, includes multiple reactions (both at the electrodes and in the bulk phase) and involves a variety of microbial functional groups. The model is applied to two theoretical case studies: (i) A microbial electrolysis cell (MEC) for continuous anodic volatile fatty acids (VFA) oxidation and cathodic VFA reduction to alcohols, for which the theoretical system response to changes in applied voltage and VFA feed ratio (anode-to-cathode) as well as membrane type are investigated. This case involves multiple parallel electrode reactions in both anode and cathode compartments; (ii) A microbial fuel cell (MFC) for cathodic perchlorate reduction, in which the theoretical impact of feed flow rates and concentrations on the overall system performance are investigated. This case involves multiple electrode reactions in series in the cathode compartment. The model structure captures interactions between important system variables based on first principles and provides a platform for the dynamic description of METs involving electrode reactions both in parallel and in series and in both MFC and MEC configurations. Such a theoretical modelling approach, largely based on first principles, appears promising in the development and testing of MET control and optimization strategies.
authors.affiliation: Department of Chemical and Environmental Engineering (CEE) Masdar Institute of Science & Technology, P.O. Box 54224, Abu Dhabi, United Arab Emirates. tolutoyo@gmail.com.
authors.forename: Tolutola
authors.initials: T
authors.lastname: Oyetunde
authors.affiliation: The Energy and Resources Institute (TERI), Darbari Seth Block, India Habitat Centre, New Delhi 110 003, India. priyangshumsarma@gmail.com.
authors.forename: Priyangshu M
authors.initials: PM
authors.lastname: Sarma
authors.affiliation: Department of Chemical and Environmental Engineering (CEE) Masdar Institute of Science & Technology, P.O. Box 54224, Abu Dhabi, United Arab Emirates. fahmad@masdar.ac.ae.
authors.forename: Farrukh
authors.initials: F
authors.lastname: Ahmad
authors.affiliation: Department of Chemical and Environmental Engineering (CEE) Masdar Institute of Science & Technology, P.O. Box 54224, Abu Dhabi, United Arab Emirates. jrodriguez@masdar.ac.ae.
authors.forename: Jorge
authors.initials: J
authors.lastname: Rodríguez
mesh_terms: D001673:Biodegradation, Environmental; D001674:Bioelectric Energy Sources / Q000382:microbiology*; D000440:Butanols / Q000032:analysis / Q000378:metabolism; D003198:Computer Simulation; D055664:Electrochemical Techniques; D004566:Electrodes; D004572:Electrolysis; D000431:Ethanol / Q000032:analysis / Q000378:metabolism; D005227:Fatty Acids / Q000032:analysis / Q000378:metabolism; D008954:Models, Biological; D010084:Oxidation-Reduction; D010472:Perchlorates / Q000302:isolation & purification / Q000378:metabolism
chemical_list: D000440:Butanols; D005227:Fatty Acids; D010472:Perchlorates; D000431:Ethanol; C494474:perchlorate
keywords: bio-electrosynthesis; bioelectrochemistry; bioremediation; modeling; resource recovery