A publication on in-situ characterization techniques for reaction kinetics, published in 2015.

Nikolaos E. Tsakoumis, Andrew P.E. York, De Chen, Magnus Rønning, ’Catalyst characterization techniques and reaction cells operating at realistic conditions: towards aquisition of kinetically relevant information’, Catalysis, Science and Technology 5 (2015) 4859–4883.

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An extensive review paper on non-steady state methods for the determination of intrinsic reaction kinetics has been composed in a cooperation of five academic members of the Eurokin consortium in the course of 2007.

A review paper on dynamic methods has been published in 2008:
Rob J. Berger, Freek Kapteijn, Jacob A. Moulijn, Guy B. Marin, Juray De Wilde, Maria Olea, De Chen, Anders Holmen, Luca Lietti, Enrico Tronconi, Yves Schuurman ‘Dynamic methods for catalytic kinetics’, Appl. Catal. A: General 342 (2008) 3–28.

This paper reviews different transient methods amenable for determination of reaction kinetics. Transient methods allow extracting more and better kinetic information from fewer experiments compared to conventional steady-state experiments. The present day availability of experimental and analysis equipment and of more easily applicable numerical tools justifies a reappreciation of transient kinetic analysis techniques.

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‘Coated-wall reactor modeling – Criteria for neglecting radial concentration gradients. 2. Reactor tubes filled with inert particles’

Two papers have been published by Berger & Kapteijn concerning simulations of radial dispersion in the empty zone in a coated-wall reactor (catalytic wall). Criteria were developed for allowing neglecting these radial concentration gradients, and thus using the simple plug-flow model to calculate the reaction rate constant from the measured conversion. This has been done for several reactor shapes and for several reaction orders. The simulations were carried out using Athena Visual Studio 10.0 and Comsol Multiphysics 3.2. Only steady-state simulations were carried out.

The Second coated-wall reactor paper with a tube filled with inert particles was also published in June 2007 Industrial & Engineering Chemistry Research:
R.J. Berger, F. Kapteijn , Coated-wall reactor modeling – Criteria for neglecting radial concentration gradients. 2. Reactor tubes filled with inert particles, Ind. Eng. Chem. Res. 46 (2007) 3871-3876.
This paper contains the results of the modelling of an tubular coated-wall reactor filled with inert particles and gives a conversion-dependent correlation for allowing neglecting radial concentration gradients.

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‘Coated-wall reactor modeling – Criteria for neglecting radial concentration gradients. 1. Empty reactor tubes’

Two papers have been published by Berger & Kapteijn concerning simulations of radial dispersion in the empty zone in a coated-wall reactor (catalytic wall). Criteria were developed for allowing neglecting these radial concentration gradients, and thus using the simple plug-flow model to calculate the reaction rate constant from the measured conversion. This has been done for several reactor shapes and for several reaction orders. The simulations were carried out using Athena Visual Studio 10.0 and Comsol Multiphysics 3.2. Only steady-state simulations were carried out.

The First coated-wall reactor paper with an empty tube was published in June 2007 Industrial & Engineering Chemistry Research:
R.J. Berger, F. Kapteijn, Coated-wall reactor modeling – Criteria for neglecting radial concentration gradients. 1. Empty reactor tubes, Ind. Eng. Chem. Res., 46 (2007) 3863-3870.
This paper contains the results of the modelling of an empty tube coated-wall reactor and gives a conversion-dependent correlation for allowing neglecting radial concentration gradients.

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‘The Eurokin survey’

The paper John Birtill composed as a result of the catalyst decay survey he completed on request of Eurokin was published in 2007:
John J. Birtill, Measurement and modeling of the kinetics of catalyst decay in fixed beds: The Eurokin survey, Ind. Eng. Chem. Res. 2007 (46) 2392-2398.
This paper contains results and some conclusions from an extensive literature review on catalyst decay covering over 700 papers from the past 50 years. The paper ends with an extensive analysis of gaps and needs concerning catalyst decay in industry for both catalyst producers and catalyst users.

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‘the influence of catalyst bed dilution on the conversion observed’

There are three papers containing the results of an investigation of the effect of inert bed dilution on the conversion in gas-solid fixed beds, which was carried out in Delft. This work was carried out within Eurokin since it was concluded earlier that the often-used equation from Van den Bleek to estimate the maximum allowed amount of inert bed dilution in a gas-solid (or liquid-solid) fixed bed reactor is not reliable and not generally applicable. The effect of dilution on the conversion was investigated by simulations and experiments in the six-flow reactor in the laboratory.
The work published in the three papers below was also presented at the Reactor Engineering session of the Europacat V conference (2-7 September 2001, Limerick, Ireland) and also at the conference NCCC III (the Netherlands’ Catalysis and Chemistry Conference 2002, 4-6 March 2002, Noordwijkerhout).

The Third dilution paper was published in December 2002 in Chemical Engineering Journal: R.J. Berger, J. Pérez- Ramírez, F. Kapteijn, J.A. Moulijn, Catalyst performance testing: the influence of catalyst bed dilution on the conversion observed, Chem. Eng. J., 90 (2002) 173-183.
This paper gives an overview of and overall conclusions from all the work done and is based on the First and Second dilution paper.

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‘Radial and axial dispersion related to dilution in fixed-bed laboratory reactors’

There are three papers containing the results of an investigation of the effect of inert bed dilution on the conversion in gas-solid fixed beds, which was carried out in Delft. This work was carried out within Eurokin since it was concluded earlier that the often-used equation from Van den Bleek to estimate the maximum allowed amount of inert bed dilution in a gas-solid (or liquid-solid) fixed bed reactor is not reliable and not generally applicable. The effect of dilution on the conversion was investigated by simulations and experiments in the six-flow reactor in the laboratory.
The work published in the three papers below was also presented at the Reactor Engineering session of the Europacat V conference (2-7 September 2001, Limerick, Ireland) and also at the conference NCCC III (the Netherlands’ Catalysis and Chemistry Conference 2002, 4-6 March 2002, Noordwijkerhout).

The Second dilution paper was published in February 2002 in Aplied Catalysis A: General: R.J. Berger, J. Pérez- Ramírez, F. Kapteijn, J.A. Moulijn, Catalyst performance testing: Radial and axial dispersion related to dilution in fixed-bed laboratory reactors, Applied Catalysis A: General 227 (2002) 321-333.
This paper concerns the influence of different macrodistributions of catalyst and inert bed dilution. From the results the bed tortuosity was estimated.

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‘bed dilution revisited’

There are three papers containing the results of an investigation of the effect of inert bed dilution on the conversion in gas-solid fixed beds, which was carried out in Delft. This work was carried out within Eurokin since it was concluded earlier that the often-used equation from Van den Bleek to estimate the maximum allowed amount of inert bed dilution in a gas-solid (or liquid-solid) fixed bed reactor is not reliable and not generally applicable. The effect of dilution on the conversion was investigated by simulations and experiments in the six-flow reactor in the laboratory.
The work published in the three papers below was also presented at the Reactor Engineering session of the Europacat V conference (2-7 September 2001, Limerick, Ireland) and also at the conference NCCC III (the Netherlands’ Catalysis and Chemistry Conference 2002, 4-6 March 2002, Noordwijkerhout).

First dilution paper was published in December 2002 in Chemical Engineering Science: R.J. Berger, J. Pérez- Ramírez, F. Kapteijn, J.A. Moulijn, Catalyst performance testing: bed dilution revisited, Chem. Eng. Sc., 57 (2002) 4921-4932.
This paper focuses on the effect of inert bed dilution on the conversion in well-mixed beds (gas-solid application).

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‘Software functionality assessment for kinetic parameter estimation, model discrimination, parameter estimation and design of experiments’

Jan Willem Verwijs, Johan Hoorn, Jan Verstraete and Rob Berger prepared two publications concerning an assessment of commercial software packages for kinetic parameter estimation problems composed within Eurokin.

The second part is available in the paper Paper_par-est-1, which was published on this web site on April 20, 2001.
R.J. Berger, J. Hoorn, J. Verstraete and J.W. Verwijs, ‘Software functionality assessment for kinetic parameter estimation, model discrimination and design of experiments  | The four test cases‘, Eurokin website (http://www.dct.tudelft.nl/eurokin/publications/), 2001.

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