A computational approach for the selection of optimal catalyst shape for solid-catalysed gas-phase reactions

文献情報

出版日 2019-11-13

DOI 10.1039/C9RE00240E

インパクトファクター 4.239

著者

Karthik G. M., Vivek V. Buwa

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要旨

Particle-resolved CFD simulations are performed for four industrially important solid-catalysed gas-phase reactions (methane steam reforming (MSR), water–gas shift (WGS), and methanol (MeOH) and DME synthesis) in a fixed-bed reactor. The effect of particle shape is investigated using internally and externally-shaped particles. Preliminary analysis with cylindrical particles showed higher diffusion limitation for the MSR and DME synthesis compared to the WGS and MeOH reactions. Due to a shorter diffusion length for particles with a higher surface area, a higher effectiveness factor and conversion were observed. The increase in conversion with the particle surface area correlated well with the extent of mass transfer limitation for different reactions. The 7-hole cylinder for the MSR, WGS and DME reactions and the hollow cylinder for the MeOH reaction showed the highest conversion. The conversion/ΔP decreased after a certain particle surface area due to a higher increase in ΔP compared to that in conversion. The cylcut shape for the MSR and DME and the daisy shape for the WGS and MeOH were optimal for the overall reactor efficiency.

掲載誌

Reaction Chemistry & Engineering

CiteScore: 0

自己引用率: 8.8%

年間論文数: 284

Reaction Chemistry & Engineering is an interdisciplinary journal reporting cutting-edge research focused on enhancing the understanding and efficiency of reactions. Reaction engineering leverages the interface where fundamental molecular chemistry meets chemical engineering and technology. Challenges in chemistry can be overcome by the application of new technologies, while engineers may find improved solutions for process development from the latest developments in reaction chemistry. Reaction Chemistry & Engineering is a unique forum for researchers whose interests span the broad areas of chemical engineering and chemical sciences to come together in solving problems of importance to wider society. All papers should be written to be approachable by readers across the engineering and chemical sciences. Papers that consider multiple scales, from the laboratory up to and including plant scale, are particularly encouraged.