A Review of the Water Gas Shift Reaction Kinetics

The world’s progression towards the Hydrogen economy is facilitating the production of hydrogen from various resources. In the carbon based hydrogen production, Water gas shift reaction is the intermediate step used for hydrogen enrichment and CO reduction in the synthesis gas. This paper makes a critical review of the developments in the modeling approaches of the reaction for use in designing and simulating the water gas shift reactor. Considering the fact that the rate of the reaction is dependent on various parameters including the composition of the catalyst, the active surface and structure of the catalyst, the size of the catalyst, age of the catalyst, its operating temperature and pressure and the composition of the gases, it is difficult to narrow down the expression for the shift reaction. With different authors conducting experiments still to validate the kinetic expressions for the shift reaction, continuous research on different composition and new catalysts are also reported periodically. Moreover the commercial catalyst manufacturers seldom provide information on the catalyst. This makes the task of designers difficult to model the shift reaction. This review provides a consolidated listing of the various important kinetic expressions published for both the high temperature and the low temperature water gas shift reaction along with the details of the catalysts and the operating conditions at which they have been validated.

[1]  C. Kubiak,et al.  In the Water Gas Shift Reaction , 2007 .

[2]  Ib Chorkendorff,et al.  A Microkinetic Analysis of the Water–Gas Shift Reaction under Industrial Conditions , 1996 .

[3]  Robert J. Farrauto,et al.  Kinetics of the water-gas shift reaction on Pt catalysts supported on alumina and ceria , 2007 .

[4]  Charles T. Campbell,et al.  A kinetic model of the water gas shift reaction , 1992 .

[5]  E. Drioli,et al.  An analysis of the performance of membrane reactors for the water–gas shift reaction using gas feed mixtures , 2000 .

[6]  Riitta L. Keiski,et al.  Stationary and transient kinetics of the high temperature water-gas shift reaction , 1996 .

[7]  R. Keiski,et al.  Water-gas shift reaction on a cobalt-molybdenum oxide catalyst , 1993 .

[8]  T. Salmi,et al.  A dynamic study of the water-gas shift reaction over an industrial ferrochrome catalyst , 1988 .

[9]  Tsung Leo Jiang,et al.  An experimental study on carbon monoxide conversion and hydrogen generation from water gas shift reaction , 2008 .

[10]  C. Rhodes,et al.  Water-gas shift reaction: finding the mechanistic boundary , 1995 .

[11]  F. G. Botes,et al.  Water–gas-shift kinetics in the iron-based low-temperature Fischer–Tropsch synthesis , 2007 .

[12]  Tsung Leo Jiang,et al.  Modeling and simulation of hydrogen generation from high-temperature and low-temperature water gas shift reactions , 2008 .

[13]  Dionisios G. Vlachos,et al.  Is the water–gas shift reaction on Pt simple?: Computer-aided microkinetic model reduction, lumped rate expression, and rate-determining step , 2005 .

[14]  J. G. Buglass,et al.  Noble metal water gas shift catalysis: Kinetics study and reactor design ☆ , 2005 .

[15]  Investigation of the kinetic properties for the forward and reverse WGS reaction by energetic analysis , 2003 .

[16]  Steven T. Evans,et al.  Mechanism of the Water Gas Shift Reaction on Pt: First Principles, Experiments, and Microkinetic Modeling , 2008 .

[17]  Erdogan Gulari,et al.  Comparative studies of low-temperature water-gas shift reaction over Pt/CeO2, Au/CeO2, and Au/Fe2O3 catalysts , 2003 .

[18]  D. G. Roberts,et al.  Kinetics of high-temperature water-gas shift reaction over two iron-based commercial catalysts using simulated coal-derived syngases , 2009 .

[19]  S. Chan,et al.  Water–gas shift reaction – A 2-D modeling approach , 2008 .

[20]  Said S.E.H. Elnashaie,et al.  Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors , 1994 .

[21]  A. Dalai,et al.  Low-temperature water-gas shift reaction over Mn-promoted Cu/Al2O3 catalysts , 2006 .

[22]  W. Haije,et al.  Water–Gas Shift Kinetics Over FeCr-based Catalyst: Effect of Hydrogen Sulphide , 2009 .

[23]  K. Waugh Prediction of global reaction kinetics by solution of the Arrhenius parameterised component elementary reactions: microkinetic analysis , 1999 .

[24]  Robert J. Farrauto,et al.  Determination of kinetic parameters for the water-gas shift reaction on copper catalysts under realistic conditions for fuel cell applications , 2003 .

[25]  D. Newsome The Water-Gas Shift Reaction , 1980 .

[26]  Riitta L. Keiski,et al.  Development and verification of a simulation model for a non-isothermal water-gas shift reactor , 1992 .

[27]  Harvey G. Stenger,et al.  Water gas shift reaction kinetics and reactor modeling for fuel cell grade hydrogen , 2003 .

[28]  Raymond J. Gorte,et al.  A comparative study of water-gas-shift reaction over ceria supported metallic catalysts , 2001 .

[29]  C. Singh,et al.  Simulation of High-Temperature Water-Gas Shift Reactors , 1977 .

[30]  U. Graham,et al.  LOW TEMPERATURE WATER GAS SHIFT: IMPACT OF PT PROMOTER LOADING ON THE PARTIAL REDUCTION OF CERIA AND CONSEQUENCES FOR CATALYST DESIGN , 2005 .

[31]  Henrik Kušar,et al.  Kinetics of the water–gas shift reaction over nanostructured copper–ceria catalysts , 2006 .

[32]  R. Datta,et al.  An improved microkinetic model for the water gas shift reaction on copper , 2003 .

[33]  Thomas A. Adams,et al.  A dynamic two-dimensional heterogeneous model for water gas shift reactors , 2009 .

[34]  Manos Mavrikakis,et al.  On the mechanism of low-temperature water gas shift reaction on copper. , 2008, Journal of the American Chemical Society.

[35]  R. Datta,et al.  A UBI-QEP microkinetic model for the water-gas shift reaction on Cu(1 1 1) , 2002 .

[36]  Yong-qi Hu,et al.  Reduced rate method for discrimination of the kinetic models for the water–gas shift reaction , 1999 .

[37]  D. Ollis,et al.  The chemistry and catalysis of the water gas shift reaction: 1. The kinetics over supported metal catalysts , 1981 .

[38]  W. A. Jong,et al.  Kinetics and mechanism of the CO shift on CuZnO: 1. Kinetics of the forward and reverse CO shift reactions , 1980 .

[39]  Y. Schuurman,et al.  Kinetics and Mechanism of the Water–Gas Shift Reaction Over Platinum Supported Catalysts , 2009 .

[40]  Howard F. Rase,et al.  Chemical Reactor Design for Process Plants , 1977 .

[41]  Walter F. Podolski,et al.  Modeling the Water-Gas Shift Reaction , 1974 .

[42]  Xiang He,et al.  A theoretical study of the water gas shift reaction mechanism on Cu(111) model system , 2009 .

[43]  Norma Amadeo,et al.  Hydrogen production from the low-temperature water-gas shift reaction: Kinetics and simulation of the industrial reactor , 1995 .

[44]  Menderes Levent Water-gas shift reaction over porous catalyst: temperature and reactant concentration distribution , 2001 .

[45]  Martyn V. Twigg,et al.  Deactivation of supported copper metal catalysts for hydrogenation reactions , 2001 .

[46]  Yutaek Seo,et al.  Investigation of the characteristics of a compact steam reformer integrated with a water-gas shift reactor , 2006 .

[47]  T. Salmi,et al.  Kinetic Study of the Low-Temperature Water-Gas Shift Reaction over a Cu—ZnO Catalyst , 1989 .

[48]  C. Rhodes,et al.  Promotion of Fe3O4/Cr2O3 high temperature water gas shift catalyst , 2002 .

[49]  Ryuji Kikuchi,et al.  Water gas shift reaction over Cu-based mixed oxides for CO removal from the reformed fuels , 2003 .

[50]  Maria Flytzani-Stephanopoulos,et al.  Low-temperature water-gas shift reaction over Cu- and Ni-loaded cerium oxide catalysts , 2000 .

[51]  J. M. Moe Design of water-gas shift reactors , 1962 .

[52]  J. Fierro,et al.  A Comparative Study of the Water Gas Shift Reaction Over Platinum Catalysts Supported on CeO2, TiO2 and Ce-Modified TiO2 , 2010 .

[53]  C. Rhodes,et al.  Studies of the role of the copper promoter in the iron oxide/chromia high temperature water gas shift catalyst , 2003 .

[54]  D. Nguyen-Thanh,et al.  Discussing the use of modified ceria as support for Pt catalysts on water–gas shift reaction , 2010 .

[55]  Lanny D. Schmidt,et al.  The water-gas-shift reaction at short contact times , 2004 .

[56]  J. Wagner,et al.  Water Gas Shift Catalysis , 2009 .

[57]  L. T. Fan,et al.  Graph-theoretic and energetic exploration of catalytic pathways of the water-gas shift reaction , 2008 .