Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase

Abstract

The catalytic surface interacts with the gasphase by a variety of chemical and physical processes. Hence, optimization of design and operation conditions of catalytic reactors do not only require the understanding of the catalytic reaction sequence but also its coupling with mass and heat transport and potential homogeneous reactions. The chemical, thermal, and mass-transport interactions between the catalytic surface and the gas-phase are discussed in terms of the individual and combined interactions. The state-of-the-art modelling of reactive flows and its coupling with the catalytic surface is summarized. The interactions are illustrated by a number of examples such as reforming of hydrocarbons, catalytic combustion, exhaust-gas after-treatment, each focusing on a special aspect of catalyst-gas interactions. The potentials and limitations of the numerical simulations will be discussed including experimental techniques for model validation.

RETRACTED: Computational Fluid Dynamics Modeling of the Catalytic Partial Oxidation of Methane in Microchannel Reactors for Synthesis Gas Production

“…The intrinsic kinetics of these partial oxidation processes are typically very fast, and thus the realization of this process technology will require continued advances in the development of microreactors [15,16]. The small dimensions associated with these reactors can effectively inhibit the gas-phase reaction occurring during a catalytic partial oxidation process [56]. It is therefore important to determine the favorable operating conditions under which the yield of desired products can be maximized.…”

“…In addition to providing an explanation of experimental data, numerical simulations can serve as an efficiency design tool for the development of a catalytic partial oxidation system [56,57]. Iterative, costly experimental design processes can be avoided.…”

“…Iterative, costly experimental design processes can be avoided. Furthermore, numerical simulations are necessary to better understand the operating characteristics of a micro-structured device required to implement a catalytic partial oxidation process, and to evaluate the disadvantages and benefits associated with an innovative design of the process [56,57]. A number of commercial software tools are available, but, unfortunately, none of them is universally applicable.…”

Combustion and Emissions Characteristics of Methane-Air Mixtures in Catalytic Micro-Combustors: A Computational Fluid Dynamics Study

“…These effects may result in enhancement or inhibition of the combustion reaction (Stefanidis and Vlachos, 2009). Additionally, detailed modeling of both the computational fluid dynamics and the chemical kinetics in the system is required (Deutschmann, 2015). Reaction mechanisms are also required to provide a detailed description of the chemical processes occurring in the system (Ju and Maruta, 2011;Kaisare and Vlachos, 2012).…”

“…Varying pressure in a catalytic combustion system alters the process in several ways. Pressure can affect heat and mass transfer to the surface of the catalyst (Deutschmann, 2015). Furthermore, entirely new reaction paths are possible if only homogeneous reactions are allowed to occur (Chattopadhyay and Veser, 2006;Veser, 2001).…”