Dry reforming of methane in a stagnation-flow reactor using Rh supported on strontium-substituted hexaaluminate

McGuire, Nicholas E.; Sullivan, Neal P.; Deutschmann, Olaf; Zhu, Huayang; Kee, Robert J.

doi:10.1016/j.apcata.2011.01.009

Cited by 55 publications

(35 citation statements)

References 21 publications

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“…Also, it is known from earlier work (McGuire et al, 2011) that species production rates due to purely gas-phase reactions are negligible at normal operating conditions. Thus we omit purely gas-phase reactions when evaluatingω α in our differential equation model.…”

Section: Stagnation Flow Reactor Modelmentioning

confidence: 99%

“…Methane reforming is an important process because it provides an effective route for the industrial production of syngas (CO+H 2 ). Catalytic reforming of methane has been studied previously, and a few kinetic models have been proposed (Deutschmann et al, 2001;Hartmann et al, 2010;McGuire et al, 2009McGuire et al, , 2011. The development of these models has proceeded by collecting possible elementary reactions and making educated guesses about the appropriate pathways, with the selection of rate parameter values based on existing literature or fits to experimental data.…”

Section: Numerical Demonstrations: Catalytic Reforming Of Methanementioning

confidence: 99%

“…The stagnation-flow reactor boundary layer equations have been used by a number of authors in studies of catalytic surface reactions (Deutschmann et al, 2001;McGuire et al, 2009McGuire et al, , 2011. The governing equations are:…”

Section: Stagnation Flow Reactor Modelmentioning

confidence: 99%

“…The set of proposed elementary reactions we use in our inference demonstrations is taken from a comprehensive model proposed by McGuire et al (2011) recently and is shown in Table 1. The reaction set consists of 42 irreversible elementary reactions involving 12 surface-adsorbed species and gas-phase species.…”

Section: Proposed Elementary Reactionsmentioning

confidence: 99%

“…(Deutschmann et al, 2001;Hartmann et al, 2010;McGuire et al, 2011). Activation energies for surface reactions are often estimated using the semi-empirical unity bond index-quadratic exponential potential (UBI-QEP) method.…”

Section: Proposed Elementary Reactionsmentioning

confidence: 99%

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Bayesian inference of chemical kinetic models from proposed reactions

Galagali

Marzouk

2015

Chemical Engineering Science

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Bayesian inference provides a natural framework for combining experimental data with prior knowledge to develop chemical kinetic models and quantify the associated uncertainties, not only in parameter values but also in model structure. Most existing applications of Bayesian model selection methods to chemical kinetics have been limited to comparisons among a small set of models, however. The significant computational cost of evaluating posterior model probabilities renders traditional Bayesian methods infeasible when the model space becomes large. We present a new framework for tractable Bayesian model inference and uncertainty quantification using a large number of systematically generated model hypotheses. The approach involves imposing point-mass mixture priors over rate constants and exploring the resulting posterior distribution using an adaptive Markov chain Monte Carlo method. The posterior samples are used to identify plausible models, to quantify rate constant uncertainties, and to extract key diagnostic information about model structuresuch as the reactions and operating pathways most strongly supported by the data. We provide numerical demonstrations of the proposed framework by inferring kinetic models for catalytic steam and dry reforming of methane using available experimental data.

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Section: Stagnation Flow Reactor Modelmentioning

confidence: 99%

Section: Numerical Demonstrations: Catalytic Reforming Of Methanementioning

confidence: 99%

Section: Stagnation Flow Reactor Modelmentioning

confidence: 99%

Section: Proposed Elementary Reactionsmentioning

confidence: 99%

Section: Proposed Elementary Reactionsmentioning

confidence: 99%

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Bayesian inference of chemical kinetic models from proposed reactions

Galagali

Marzouk

2015

Chemical Engineering Science

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Surface Reaction Kinetics of the Oxidation and Reforming of Propane over Rh/Al₂O₃ Catalysts

et al. 2017

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A multi‐step surface reaction mechanism for partial oxidation and steam reforming of propane over Rh/Al2O3 catalysts is presented. The mechanism is also applicable to model reactions of the subsystems H2/CO/H2O/CO2/O2/CH4. A stagnation–flow reactor with a catalytically coated disk is used to determine the surface reaction rate and spatial concentration profiles on top of the catalytic plate using a micro‐probe sampling technique. The reactor configuration facilitates one‐dimensional modeling of coupled diffusive and convective transport within the gas‐phase boundary layer coupled with detailed heterogeneous chemistry models of the zero‐dimensional surface. The reaction system is studied at varying inlet concentrations and temperatures. The established reaction kinetics are furthermore tested by simulation of autothermal reforming of propane in an annular reactor previously described by Pagani.

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Evaluating Catalytic Fixed‐Bed Reactors for Dry Reforming of Methane with Detailed CFD

Wehinger

Eppinger

Kraume

2015

Chemie Ingenieur Technik

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A rigorous modeling of catalytic fixed‐bed reactors with spherical and non‐spherical particles is presented. The spatially resolved randomly distributed particles allow a comprehensive description of the interstitial flow. The detailed fluid dynamics are coupled with a detailed reaction mechanism of the heterogeneous dry reforming of methane (DRM). Three different kinds of particles of typical industrial dimensions are evaluated under characteristic reaction conditions toward conversions and yields of the DRM. It was found that the fixed bed consisting of cylindrical particles shows the highest conversions and yields. On the contrary, the one‐hole cylinder packing exhibits a low performance. With this modeling transport phenomena inside fixed beds can be fully addressed and finally, a substantial quantitative comparison between different packings is possible.

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Dry reforming of methane in a stagnation-flow reactor using Rh supported on strontium-substituted hexaaluminate

Cited by 55 publications

References 21 publications

Bayesian inference of chemical kinetic models from proposed reactions

Bayesian inference of chemical kinetic models from proposed reactions

Surface Reaction Kinetics of the Oxidation and Reforming of Propane over Rh/Al₂O₃ Catalysts

Evaluating Catalytic Fixed‐Bed Reactors for Dry Reforming of Methane with Detailed CFD

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Dry reforming of methane in a stagnation-flow reactor using Rh supported on strontium-substituted hexaaluminate

Cited by 55 publications

References 21 publications

Bayesian inference of chemical kinetic models from proposed reactions

Bayesian inference of chemical kinetic models from proposed reactions

Surface Reaction Kinetics of the Oxidation and Reforming of Propane over Rh/Al2O3 Catalysts

Evaluating Catalytic Fixed‐Bed Reactors for Dry Reforming of Methane with Detailed CFD

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Product

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Surface Reaction Kinetics of the Oxidation and Reforming of Propane over Rh/Al₂O₃ Catalysts