Author: Sean Xianming Zhang
Publisher:
ISBN:
Category :
Languages : en
Pages : 174
Book Description
Dynamics of Carbon Monoxide Oxidation on Platinum
Dynamics of Carbon Monoxide Oxidation on Palladium, Platinum, and Rhodium
Spatiotemporal Dynamics of Heterogeneous Catalysis
Dynamic Studies of Carbon Monoxide Oxidation on Supported Platinum
Author: Alfred J. Francis
Publisher:
ISBN:
Category : Carbon monoxide
Languages : en
Pages : 186
Book Description
Publisher:
ISBN:
Category : Carbon monoxide
Languages : en
Pages : 186
Book Description
An Investigation of the Reaction Dynamics of the Catalytic Oxidation of Carbon Monoxide and Methanol on Platinum
Author: Thomas Liang-Shi Peng
Publisher:
ISBN:
Category :
Languages : en
Pages : 414
Book Description
Publisher:
ISBN:
Category :
Languages : en
Pages : 414
Book Description
Modeling of Dynamic Carbon Monoxide Oxidation Over a Porous Platinum Catalyst
Author: Laura Christine Carrington
Publisher:
ISBN:
Category :
Languages : en
Pages : 520
Book Description
Publisher:
ISBN:
Category :
Languages : en
Pages : 520
Book Description
Kinetics and Mechanism of the Oxidation of Carbon Monoxide Over a Platinum Catalyst
First-principles Simulations of the Oxidation of Methane and CO on Platinum Oxide Surfaces and Thin Films
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
Book Description
The catalytic oxidation activity of platinum particles in automobile catalysts is thought to originate from the presence of highly reactive superficial oxide phases which form under oxygen-rich reaction conditions. The thermodynamic stability of platinum oxide surfaces and thin films was studied, as well as their reactivities towards oxidation of carbon compounds by means of first-principles atomistic thermodynamics calculations and molecular dynamics simulations based on density functional theory. On the Pt(111) surface the most stable superficial oxide phase is found to be a thin layer of alpha-PtO2, which appears not to be reactive towards either methane dissociation or carbon monoxide oxidation. A PtO-like structure is most stable on the Pt(100) surface at oxygen coverages of one monolayer, while the formation of a coherent and stress-free Pt3O4 film is favoured at higher coverages. Bulk Pt3O4 is found to be thermodynamically stable in a region around 900 K at atmospheric pressure. The computed net driving force for the dissociation of methane on the Pt3O4(100) surface is much larger than on all other metallic and oxide surfaces investigated. Moreover, the enthalpy barrier for the adsorption of CO molecules on oxygen atoms of this surface is as low as 0.34 eV, and desorption of CO2 is observed to occur without any appreciable energy barrier in molecular dynamics simulations. These results, combined, indicate a high catalytic oxidation activity of Pt3O4 phases that can be relevant in the contexts of Pt-based automobile catalysts and gas sensors.
Publisher:
ISBN:
Category :
Languages : en
Pages :
Book Description
The catalytic oxidation activity of platinum particles in automobile catalysts is thought to originate from the presence of highly reactive superficial oxide phases which form under oxygen-rich reaction conditions. The thermodynamic stability of platinum oxide surfaces and thin films was studied, as well as their reactivities towards oxidation of carbon compounds by means of first-principles atomistic thermodynamics calculations and molecular dynamics simulations based on density functional theory. On the Pt(111) surface the most stable superficial oxide phase is found to be a thin layer of alpha-PtO2, which appears not to be reactive towards either methane dissociation or carbon monoxide oxidation. A PtO-like structure is most stable on the Pt(100) surface at oxygen coverages of one monolayer, while the formation of a coherent and stress-free Pt3O4 film is favoured at higher coverages. Bulk Pt3O4 is found to be thermodynamically stable in a region around 900 K at atmospheric pressure. The computed net driving force for the dissociation of methane on the Pt3O4(100) surface is much larger than on all other metallic and oxide surfaces investigated. Moreover, the enthalpy barrier for the adsorption of CO molecules on oxygen atoms of this surface is as low as 0.34 eV, and desorption of CO2 is observed to occur without any appreciable energy barrier in molecular dynamics simulations. These results, combined, indicate a high catalytic oxidation activity of Pt3O4 phases that can be relevant in the contexts of Pt-based automobile catalysts and gas sensors.
Patterns and Dynamics in Heterogeneous Catalysis
Author: Christopher Dale Lund
Publisher:
ISBN:
Category :
Languages : en
Pages : 286
Book Description
Publisher:
ISBN:
Category :
Languages : en
Pages : 286
Book Description
Dynamics of Nonlinear Systems
Author: Vladimir Hlavacek
Publisher: CRC Press
ISBN: 9782881241116
Category : Science
Languages : en
Pages : 328
Book Description
Publisher: CRC Press
ISBN: 9782881241116
Category : Science
Languages : en
Pages : 328
Book Description