Electrochemical fluidized bed reactors for electro-enzymatic syntheses including gaseous phases: Part II. Modelling, Scale-up and in-line process monitoring

拟议项目的总体目标是进一步开发三相流态化电化学反应器，作为非常有希望的电酶--以及从前景看-电--微生物合成增值产品的系统。第二个资助期一揽子工作的重点特别是：(I)开发一种设计，使反应器能够有效地扩展到工业相关的尺寸，并允许舒适地处理和交换酶载体，以实现长期操作；(Ii)通过将反应器与质谱仪(MS)相耦合，对合成反应的反应物进行灵活和灵敏的实时分析。MS对不同目标分子的快速适应将允许研究不同的电酶反应系统，而分析的实时特性将允许以动力学方式深入了解电气和化学性能指标之间的相关性，(Iii)扩展和推广建模活动，以便全面了解工艺限制，特别是在以高电流密度运行的规模化反应器中。学习到的相关性将被转化为一般设计规则，灵活的模型应用程序将在COMSOL服务器上实施，供一般使用，而不需要COMSOL许可证或详细的建模知识。

The overall objective of the proposed project is the further development of three-phase fluidized bed electrochemical reactors as highly promising systems for electro-enzymatic – and in perspective – also electro-microbial synthesis of value-added products. The foci of the work packages in the second funding period are in particular: (i) the development of a design which allows to effectively scale the reactor into industrially relevant dimensions and to allow the comfortable handling and exchange of enzyme carriers to enable long-term operation, (ii) to implement a flexible and sensitive real-time analysis of the reactants of the synthesis by coupling the reactor to a mass spectrometer (MS). The fast adaption of MS to various target molecules will allow the investigation of different electro-enzymatic reaction systems, while the real-time character of the analysis will allow kinetically resolved insights into correlations between electrical and chemical performance indicators, (iii) to extend and generalize the modelling activities in order to gain a comprehensive knowledge about process limitations, especially in scaled reactors running at elevated current densities. The correlations learned, will be transferred into general design rules and flexible model apps will be implemented on a COMSOL server for general use without the need for a COMSOL license or detailed modelling knowledge.