A reduced mechanism for methane and one-step rate expressions for fuel-lean catalytic combustion of small alkanes on noble metals

Deshmukh, Soumitra; Vlachos, Dionisios G.

doi:10.1016/j.combustflame.2007.02.006

Cited by 105 publications

(64 citation statements)

References 59 publications

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“…Using these values, reasonable quantitative agreement with CFD results was obtained in previous work [10]. The catalytic chemistry is modeled with a newly developed lumped rate expression for propane/air combustion on Pt [11]. This has been derived through a posteriori reduction of a detailed microkinetic model of methane on Rh and extension to other hydrocarbons and catalysts [12].…”

Section: Modelingsupporting

confidence: 53%

Modeling Ignition in Catalytic Microreactors

2008

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A pseudo-2D reactor model is used to perform a comprehensive study on the catalytic ignition of a lean propane/air mixture in a microreactor with Pt-coated walls. The results of the in-house code are verified against the commercial package FLUENT. The roles of inlet velocity, wall conductivity, heat losses or heat transfer to an adjacent endothermic channel, channel gap size, and wall thickness in steady-state ignition via inlet preheating and resistive heating, are studied. The results show that the heat loss/transfer has the largest effect on ignition for both ignition modes. For an adiabatic reactor, the ignition inlet temperature decreases with increasing wall conductivity. The exact opposite trend is observed at high heat losses. On the other hand, in the resistive heating mode, the external power input at ignition decreases with increasing wall conductivity, irrespective of the heat losses. Lower values of the inlet velocity result in a lower required power input for ignition. The two ignition modes are contrasted, and microreactor and multifunctional devices start-up strategies are suggested.

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Section: Modelingsupporting

confidence: 53%

Modeling Ignition in Catalytic Microreactors

2008

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“…Propane combustion on Pt is modeled as in Kaisare et al [13]. The single-step chemistry has been derived through a posteriori reduction of a full microkinetic model on Pt [19]. The systematic reduction procedure to derive the global rate expressions for SR and WGS is detailed in [20].…”

Section: Modelingmentioning

confidence: 99%

Millisecond Methane Steam Reforming Via Process and Catalyst Intensification

Stefanidis

Vlachos

2008

Chem Eng & Technol

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The steam reforming of methane on a rhodium/alumina based multifunctional microreactor is simulated using fundamental chemical kinetics in a pseudo-twodimensional microreactor model. The microreactor consists of parallel catalytic plates, whereby catalytic combustion and reforming take place on opposite sides of a wall. Heat exchange happens through the wall. It is shown that reforming can happen in millisecond or lower contact times and proper balancing of flow rates can give high conversions, reasonably high temperatures, and high yield to syngas. It is found that tuning catalyst surface area and internal and external mass and heat transfer through reactor sizing can lead to further process intensification.

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“…During the last decades the catalytic combustion of higher alkanes and, in particular, of n-butane became an intensively studied subject, generated by promising applications [1,2] and by necessity to extend and validate the kinetic modeling elaborated for lower alkanes [3,4]. The lower reaction temperatures resulting in reduced NO x emissions, improved combustion stability for lower fuel content, as well as the high and adjustable reaction rates which provide efficient operation of the practical devices are obvious benefits compared to classical gas phase combustion.…”

Section: Introductionmentioning

confidence: 99%

The Effect of Operational Parameters on the Catalytic Combustion of n-Butane/Air Mixtures on Platinum Wire

2008

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The effect of mixture composition, total pressure and catalyst temperature on the kinetics of the catalytic combustion of n-butane/air or n-butane/oxygen mixtures on isothermally heated platinum wire is reported. The catalyst temperature was changed from 680 to 1,130 K for mixtures containing n-butane between 1 and 4.5% at total pressures between 10 and 100 kPa. The measurements allowed the determination of different kinetic properties like reaction rate, turnover frequency, overall and partial reaction orders and activation energy. The pressure dependence of the reaction rate offered the possibility to make a critical analysis of the kinetic equations frequently utilized in the literature.

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A reduced mechanism for methane and one-step rate expressions for fuel-lean catalytic combustion of small alkanes on noble metals

Cited by 105 publications

References 59 publications

Modeling Ignition in Catalytic Microreactors

Modeling Ignition in Catalytic Microreactors

Millisecond Methane Steam Reforming Via Process and Catalyst Intensification

The Effect of Operational Parameters on the Catalytic Combustion of n-Butane/Air Mixtures on Platinum Wire

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