Kinetic interactions between H2 and CO in catalytic oxidation over PdO

Ran Sui, Wenkai Liang, Liang Zhang, John Mantzaras, Chung K. Law

Research output: Contribution to journalArticle

Abstract

Kinetic interactions between H2 and CO over PdO, a widely used catalyst in combustion systems, were studied experimentally and numerically. Global reaction parameters of H2 and CO oxidation over PdO were extracted from wire microcalorimetry experiments at atmospheric pressure in the temperature range 380–800 K, based on which a full catalytic reaction mechanism was developed. Comparison of ignition temperatures and heat release rates of different H2/CO blends along with density functional theory (DFT) simulations revealed complex physicochemical coupling of the H2 and CO catalytic oxidation pathways. The coupling evolves from an inhibiting effect of one fuel component onto the other due to their competition for surface adsorption sites and a direct repelling mechanism between the co-adsorbed H(s) and CO(s), to a promoting effect at sufficiently high temperatures caused by alleviated O(s) surface blocking. Implications of the H2[sbnd]CO kinetic coupling to the operation of practical power generation systems are outlined.

Original languageEnglish (US)
Pages (from-to)270-280
Number of pages11
JournalCombustion and Flame
Volume211
DOIs
StatePublished - Jan 2020

Fingerprint

Catalytic oxidation
Carbon Monoxide
oxidation
Kinetics
kinetics
ignition temperature
interactions
Temperature
Atmospheric pressure
Power generation
Density functional theory
Ignition
atmospheric pressure
wire
Wire
density functional theory
Adsorption
catalysts
heat
Oxidation

All Science Journal Classification (ASJC) codes

  • Energy Engineering and Power Technology
  • Physics and Astronomy(all)
  • Chemical Engineering(all)
  • Chemistry(all)
  • Fuel Technology

Keywords

  • Catalytic combustion
  • Coverage-dependent activation energies
  • H–CO kinetic interactions
  • Palladium catalyst
  • Surface kinetics
  • Syngas

Cite this

Sui, Ran ; Liang, Wenkai ; Zhang, Liang ; Mantzaras, John ; Law, Chung K. / Kinetic interactions between H2 and CO in catalytic oxidation over PdO. In: Combustion and Flame. 2020 ; Vol. 211. pp. 270-280.
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Kinetic interactions between H2 and CO in catalytic oxidation over PdO. / Sui, Ran; Liang, Wenkai; Zhang, Liang; Mantzaras, John; Law, Chung K.

In: Combustion and Flame, Vol. 211, 01.2020, p. 270-280.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Kinetic interactions between H2 and CO in catalytic oxidation over PdO

AU - Sui, Ran

AU - Liang, Wenkai

AU - Zhang, Liang

AU - Mantzaras, John

AU - Law, Chung K.

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