Chemical Engineering Department, Institute for Chemical and Environmental Technology ITQUIMA, University of Castilla-La Mancha, Avenida Camilo José Cela S/N 13071, Ciudad Real, Spain.
Bioprocess Biosyst Eng. 2022 Apr;45(4):771-782. doi: 10.1007/s00449-022-02699-8. Epub 2022 Feb 9.
This work presents a simplified mathematical model able to predict the performance of a microbial fuel cell (MFC) for the cathodic dechlorination of 2,4-dichlorophenol (2,4-DCP) operating at different cathode pH values (7.0 and 5.0). Experimental data from previous work were utilized for the fitting of the model. The MFC modelled consisted of two chambers (bioanode and abiotic cathode), wherein the catholyte contained 300 mg L of 2,4-DCP and the anolyte 1000 mg L of sodium acetate. The model considered two mixed microbial populations in the anode compartment using sodium acetate as the carbon source for growth and maintenance: electrogenic and non-electrogenic biomass. 2,4-DCP, its intermediates of the reductive process (2-chlorophenol, 2-CP and 4-chlorophenol, 4-CP) and protons were considered in the model as electron acceptors in the electrogenic mechanism. The global process rate was assumed to be controlled by the biological mechanisms and modelled using multiplicative Monod-type equations. The formulation of a set of differential equations allowed to describe the simultaneous evolution of every component: concentration of sodium acetate in the anodic compartment; and concentration of 2,4-DCP, 2-CP, 4-CP, phenol and chloride in the cathode chamber. Current production and coulombic efficiencies were also estimated from the fitting. It was observed that most of the organic substrate was used by non-electrogenic mechanism. The influence of the Monod parameters was more important than the influence of the biomass yield coefficients. Finally, the model was employed to simulate different scenarios under distinct experimental conditions.
本工作提出了一个简化的数学模型，能够预测在不同阴极 pH 值（7.0 和 5.0）下运行的用于阴极脱氯 2,4-二氯苯酚（2,4-DCP）的微生物燃料电池（MFC）的性能。模型拟合使用了先前工作的实验数据。所模拟的 MFC 由两个腔室（生物阳极和非生物阴极）组成，其中阴极电解液含有 300mg/L 的 2,4-DCP，而阳极电解液含有 1000mg/L 的乙酸钠。该模型考虑了阳极室中两种混合微生物种群，以乙酸钠作为生长和维持的碳源：产电和非产电生物质。2,4-DCP、其还原过程的中间产物（2-氯苯酚、2-CP 和 4-氯苯酚、4-CP）和质子被认为是电生成机制中的电子受体。全局过程速率假定受生物机制控制，并使用乘法 Monod 型方程进行建模。一组微分方程的制定允许描述每个组件的同时演变：阳极室中乙酸钠的浓度；以及阴极室中 2,4-DCP、2-CP、4-CP、苯酚和氯离子的浓度。电流产生和库仑效率也通过拟合进行了估计。观察到大部分有机底物是通过非产电机制消耗的。Monod 参数的影响比生物质产率系数的影响更为重要。最后，该模型用于模拟不同实验条件下的不同情况。
