The chemistry of ethane dehydrogenation over a supported platinum catalyst

Vincent, R.S.; Lindstedt, R.P.; Malik, Nadeem A.; Reid, I.A.B.; Messenger, B.E.

doi:10.1016/j.jcat.2008.08.014

Cited by 54 publications

(170 citation statements)

References 121 publications

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“…This is particularly relevant to porous burners for ultralean methane oxidation/combustion. New systematic reaction class based approaches are now being used for noble metals such as Pt [105,106] as catalysts, which can potentially enhance the effective use of catalysts for ultra-lean combustion.…”

Section: Effects Of Catalystsmentioning

confidence: 99%

The combustion mitigation of methane as a non-CO 2 greenhouse gas

Jiang

Mira

Cluff

2018

Progress in Energy and Combustion Science

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ABSTRACT:Anthropogenic emissions of non-CO 2 greenhouse gases such as fugitive methane contribute significantly to global warming. A review of fugitive methane combustion mitigation and utilisation technologies, which are primarily aimed at methane emissions from coal mining activities, with a focus on modelling and simulation of ultra-lean methane oxidation/combustion is presented. The challenges associated with ultra-lean methane oxidation are on the ignition of the ultra-lean mixture and sustainability of the combustion process. There is a lack of fundamental studies on chemical kinetics of ultra-lean methane combustion and reliable kinetic schemes that can be used together with computational fluid dynamics studies to design and develop advanced mitigation systems. Mitigation of methane as a greenhouse gas calls for more efforts on understanding ultra-lean combustion. Recuperative combustion provides a promising means for mitigating ultra-lean methane emissions. Progress is needed on effective methods to ignite and to recuperate and retain heat for oxidation/combustion of the ultra-lean mixtures. Catalysts can be very effective in reducing the temperatures required for oxidation while plasmas may be utilised to assist the ignition, but thermodynamic/aerodynamic limits of burning ultra-lean methane remain unexplored. Further technological developments may be focussed on developing innovative capturing technology as well as technological innovations to achieve effective ignition and sustainable oxidation/combustion.

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Section: Effects Of Catalystsmentioning

confidence: 99%

The combustion mitigation of methane as a non-CO 2 greenhouse gas

Jiang

Mira

Cluff

2018

Progress in Energy and Combustion Science

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“…A purpose-written, 2D parabolic Fortran code [7,51 39] has been used to model the computational domain, simulated as a 3.5 × 300 mm section 52 corresponding to the top half of the duct bounded by a catalytic wall, as presented in Fig. 1.…”

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confidence: 99%

“…A previously-applied C 1 -C 2 mechanism was used to maintain consistency with the work 60 of Vincent et al [7]. Comparisons with gas-phase ignition results obtained with (i) the mech- substituted by values from experimental studies, as implemented by Vincent et al [7,19].…”

mentioning

confidence: 99%

“…Comparisons with gas-phase ignition results obtained with (i) the mech- substituted by values from experimental studies, as implemented by Vincent et al [7,19].…”

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confidence: 99%

“…Energetics of Pt-CO bonding have been previously highlighted as a sensitive parameter [7], The 2D collision theory-based method presented by Vincent et al [7] was used for ho-79 mogeneous surface reactions. Adsorption and desorption processes are treated via the ap-80 plication of (variational) TST as described by Dumesic et al [42].…”

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confidence: 99%

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Reaction class-based frameworks for heterogeneous catalytic systems

Kraus

Lindstedt

2017

Proceedings of the Combustion Institute

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A systematic and self-consistent approach is applied to study the combustion of hydrogen and syngas over platinum using coupled detailed gas phase and surface reaction mechanisms. The surface chemistry is derived using a reaction class-based framework comprising variational transition state theory (VTST), two-dimensional collision theory and the unity bond index -quadratic exponential potential for barrier heights. The latter approach is augmented by the inclusion of more accurate data, such as the heat of adsorption of CO, and VTST is used to systematically remove the need for the surface sticking coefficients associated with adsorption and desorption processes. Transition-state theory estimates for several reaction classes are produced by combining the M06 family of density functionals with the Stuttgart/Dresden effective core potential for metal atoms. The developed method reproduces experimental data with an accuracy comparable or better than the previously used collision theory approach and without the reliance on experimental parameters. The presented framework is well-suited for the efficient generation of novel heterogeneous reaction mechanisms and also serves to identify key parameters where high accuracy ab initio methods may be required. The latter is exemplified via the sensitivity of selected results to the adsorption of carbon monoxide on platinum.

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