Ignition–extinction analysis of catalytic reactor models
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        Vemuri Balakotaiah
        
 Vemuri Balakotaiah is a professor of chemical and biomolecular engineering and holds the Hugh Roy and Lillie Cranz Cullen Distinguished University Chair at the University of Houston. His research interests are in the areas of chemical and catalytic reaction engineering, multiphase flow, transport phenomena and applied mathematics and computation. He has authored more than 200 research articles, developed and taught many graduate level courses, and served as advisor or coadvisor to more than 50 doctoral students on these topics., Zhe Sun
 Zhe Sun works as a postdoctoral researcher in Chemical Engineering Department at University of Houston (UH). He received his doctoral degree in chemical engineering from UH in 2019. His doctoral research focuses on mathematical modeling and numerical analysis of chemical reactors. He received his Master’s degree from University of Pennsylvania and his Bachelor’s degree from Beijing University of Chemical Technology (China), both in chemical engineering. He is currently working on the scale-up of autothermal reactors for catalytic partial oxidation reactions.and Ram Ratnakar
 Ram Ratnakar is a subject matter expert (thermodynamics/PVT) and a researcher in R&D Mathematics & Computation at Shell Int. E&P. He is editor-in-chief ofUpstream Oil & Gas Technology , editorial advisor ofJNGSE and a member of SPE’s advisory committees. He received a BTech from IIT Delhi, India and a PhD from University of Houston, USA, both in chemical engineering. He has authored more than 40 technical papers and contributed significantly in the areas of multiscale modeling, reactive-transport, PVT and new energy. 
Abstract
A detailed analysis of the ignition–extinction and hysteresis behavior of the two widely used catalytic reactor models (packed-bed and monolith) for the case of a single exothermic reaction is presented. First, limiting models are used to determine the minimum adiabatic temperature rise and/or catalyst activity needed to observe hysteresis behavior. Next, explicit expressions are provided for estimating the feed temperature or space time at ignition (light-off) and extinction (blow-out) as a function of the adiabatic temperature rise (or inlet concentration of limiting reactant), effective thermal conductivity, time and length scales (reactor, tube/channel diameter, effective diffusion length and pore size), catalyst activity (or dilution) and heat loss. It is shown that various limiting reactor models such as the thin-bed, long-bed, lumped thermal, adiabatic and strongly cooled cases that are defined in terms of various inter- and intraphase heat and mass dispersion time scales can be used to derive scaling relations that are useful in predicting the ignition/extinction loci for both laboratory scale (with heat exchange) and large scale (near adiabatic) reactors.
About the authors

Vemuri Balakotaiah is a professor of chemical and biomolecular engineering and holds the Hugh Roy and Lillie Cranz Cullen Distinguished University Chair at the University of Houston. His research interests are in the areas of chemical and catalytic reaction engineering, multiphase flow, transport phenomena and applied mathematics and computation. He has authored more than 200 research articles, developed and taught many graduate level courses, and served as advisor or coadvisor to more than 50 doctoral students on these topics.

Zhe Sun works as a postdoctoral researcher in Chemical Engineering Department at University of Houston (UH). He received his doctoral degree in chemical engineering from UH in 2019. His doctoral research focuses on mathematical modeling and numerical analysis of chemical reactors. He received his Master’s degree from University of Pennsylvania and his Bachelor’s degree from Beijing University of Chemical Technology (China), both in chemical engineering. He is currently working on the scale-up of autothermal reactors for catalytic partial oxidation reactions.

Ram Ratnakar is a subject matter expert (thermodynamics/PVT) and a researcher in R&D Mathematics & Computation at Shell Int. E&P. He is editor-in-chief of Upstream Oil & Gas Technology, editorial advisor of JNGSE and a member of SPE’s advisory committees. He received a BTech from IIT Delhi, India and a PhD from University of Houston, USA, both in chemical engineering. He has authored more than 40 technical papers and contributed significantly in the areas of multiscale modeling, reactive-transport, PVT and new energy.
Acknowledgments
The senior author (V. B) would like to thank SABIC Americas Inc., especially David H. West, for support of his work on the dynamics of chemical reactors. Additional support was also provided by the University of Houston through the Cullen professorship.
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Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The authors declare no financial conflicts of interest regarding this article.
 
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Articles in the same Issue
- Frontmatter
 - In this issue
 - Ignition–extinction analysis of catalytic reactor models
 - A comprehensive and updated review of studies on the oxidation of cyclohexane to produce ketone-alcohol (KA) oil
 - Polyoxadiazoles as proton exchange membranes for fuel cell application
 - Synthesis and applications of surface-modified magnetic nanoparticles: progress and future prospects
 - Advances in absorbents and techniques used in wet and dry FGD: a critical review
 - Carbomer microgels as model yield-stress fluids
 
Articles in the same Issue
- Frontmatter
 - In this issue
 - Ignition–extinction analysis of catalytic reactor models
 - A comprehensive and updated review of studies on the oxidation of cyclohexane to produce ketone-alcohol (KA) oil
 - Polyoxadiazoles as proton exchange membranes for fuel cell application
 - Synthesis and applications of surface-modified magnetic nanoparticles: progress and future prospects
 - Advances in absorbents and techniques used in wet and dry FGD: a critical review
 - Carbomer microgels as model yield-stress fluids