Computational Fluid Dynamics, Transport, and Chemical Kinetics-Based Monolith Catalyst Dimensioning Methodology for Cost-Effective Performance.

The newly developed computational fluid dynamics, transport, and chemical kinetics-based monolith catalyst dimensioning methodology consists of the following steps: (i) initial calculations, which generate some of the data, e.g., average inlet fluid velocity used in the (ii) computational fluid dynamics (CFD) modelling, which uses the laminar flow interface and the transport of diluted species interface while the user has to provide the kinetics of the reactions; (iii) the model order reduction uses a modified version of the plug flow reactor model and the linear pressure variation model; and (iv) the dimensioning optimization algorithm extracts the optimal monolith catalyst's channel geometry, which satisfies the user's performance constraints and reduces material consumption. Therefore, the methodology enables chemical engineers to quickly and efficiently design and dimension monolith catalysts for many different applications in an environmentally friendly way, which enables them to reduce both the material and operating costs while maintaining sufficient catalyst performance and, therefore, achieve its cost-effective performance. [ABSTRACT FROM AUTHOR]