Reaction mechanisms on Nickel (Ni)

1) Surface reactions: Methane reforming kinetics within a Ni-YSZ SOFC anode support

Version: 1.0 (January 2005)
Evaluation: evaluated by comparison between simulation data and species profiles measured at flow experiments specially designed to study the thermal methane reforming chemistry within porous Ni-YSZ anode of a solid-oxide fuel cell (SOFC).
Reference: E. Hecht, G.K. Gupta, H. Zhu. A.M. Dean, R.J. Kee, L. Maier, O. Deutschmann. Applied Catalysis A: General 295 (2005) 40–51 Version:1.2 (March 2006)
Evaluation:The mechanism Ni2005: E. Hecht, G.K. Gupta, H. Zhu, A.M. Dean, R.J. Kee, L. Maier, O. Deutschmann. Applied Catalysis A: General 295 (2005) 40–51 adjusted for thermodynamically consistency at the extended temperature range 500-2000°C for SOFC applications.
Reference: V.M. Janardhanan, O. Deutschmann. Journal of Power Sources 162 (2006), 1192-1202

2) Surface reactions: Reforming and oxidation of methane on nickel

Version: 2.0 (2011)
Evaluation:validated by comparison between simulated and experimentally determined selectivity and conversion for partial oxidation and steam reforming of methane in continues flow reactor over Ni coated monoliths at temperature range 600 – 1300K, S/C = 1.9 – 3.7. Surface kinetics is thermodynamically consistent for a temperature range 273 – 1273K.
Reference:L. Maier, B. Schädel, K. Herrera Delgado, S. Tischer, O. Deutschmann. Steam Reforming of Methane over Nickel: Development of a Multi-Step Surface Reaction Mechanism. Topics in Catalysis 54 (2011) 845-858.

3) Surface reactions: Catalytic oxidation and steam/dry reforming of methane over nickel

Version:3.0 (2015)
Evaluation: is evaluated by comparison of numerical simulations with data derived from isothermal experiments in a flow reactor over a powdered nickel-based catalyst using varying inlet gas compositions and operating temperatures (373 - 1173K). Furthermore, the influence of hydrogen and water as co-feed on methane dry reforming with CO2 is also investigated. Surface kinetics is thermodynamically consistent for a temperature range 273 - 1273K.
Reference: K. Herrera Delgado, H. Stotz, L. Maier, S. Tischer, A. Zellner, O. Deutschmann. Surface Reaction Kinetics of Steam- and CO2-Reforming as well as Oxidation of Methane over Nickel-based Catalysts. Catalysts 5 (2015) 871-904.

Catalyst

Fuel on Surface

Gasphase kinetics