Assessment of a POD method for the dynamical analysis of a catalyst pellet with simultaneous chemical reaction, adsorption and diffusion: Uniform temperature case. (2nd February 2017)

• Record Type: Journal Article
• Authors: Bizon, Katarzyna
• Is Part Of: Computers & chemical engineering. Volume 97(2017)
• Page Start: 259
• Page End: 270
• Publication Date: 2017-02-02
• Subjects: Catalyst pellets -- Dynamics -- Model reduction -- Proper orthogonal decomposition -- Discrete empirical interpolation method; Chemical engineering -- Data processing -- Periodicals; 660.0285
• DOI: 10.1016/j.compchemeng.2016.11.009
• Languages: English
• ISSNs: 0098-1354

Abstract

Highlights: Reduced order model of a catalyst pellet is constructed by means of POD and DEIM. Simultaneous mass diffusion, adsorption and chemical reaction take place in the pellet. The model accuracy is evaluated for constant and variable bulk gas concentration. High accuracy and efficiency of the proposed reduction approach is demonstrated. Abstract: A model reduction method applied to the dynamic model of a single isothermal catalyst pellet with simultaneous chemical reaction, diffusion and adsorption is presented. The model of the pellet accounts for both internal and external resistances to mass transfer, and variable bulk gas concentration. The reduction of the model was performed by means of proper orthogonal decomposition (POD). Accuracy and computational efficiency of the reduced order model (ROM) were discussed for two kinetic models, i.e. a first order chemical kinetics and a Langmuir–Hinshelwood kinetics. To improve the computational efficiency of the model described by the Langmuir–Hinshelwood equation, the non-linear terms were approximated by a discrete empirical interpolation method (DEIM). High accuracy and efficiency of the proposed reduction approach was demonstrated.