Presentation by: Joris W. Thybaut, Guy B. Marin (Laboratory for Chemical Technology, Ghent University)

Compared to trickle beds, the Robinson-Mahoney reactor has much better heat and mass transfer characteristics and is therefore interesting for G-L-S kinetic measurements. This presentation shows that several technical adaptations of the commercially available Robinson-Mahoney reactor were required for performing reliable kinetic measurements of hydroprocessing reactions. Unfortunately, the actual gas holdup in the system is not easy to set and also not easy to check.

• Download the presentation:
  Robinson-Mahoney reactors as a tool for assessing multi-phase kinetics at laboratory scale - Downloaded 2343 times

Presentation by: Raf Roelant (Laboratory for Chemical Technology, Ghent University)

This presentation demonstrates that standard NLSQ regression is inadequate to fit kinetic parameters from transient experiments such as experiments carried out in a batch-reactor and pulse-response experiments (e.g. in a TAP reactor) since there is strong correlation between the subsequent data points. This problem can be overcome using second-order statistical regression (SOSR). After integration this requires PCA (principal component analysis) to remove the correlation between the data, followed by a suitable rescaling to achieve proper heteroskedasticness. The improvement obtained with the SOSR approach is demonstrated using real experimental TAP data.

• Download the presentation:
  Second-order statistical regression of kinetic time series - Downloaded 1685 times

Presentation by: Prof. Hugh McCann (School of Electrical and Electronic Engineering, University of Manchester, UK)

The presentation starts with an introduction to tomography, which is comparable to MRI in medical applications. X-ray CT can be used for fast non-chemically specific tomography (temporal resolution in O = 10 ms). Electrical capacitence tomography can be used to follow the solids distribution in fluidized beds. Near IR absorption tomography can be used to follow the dynamics of fuel mixing in combustion research (automotive, gas turbines); this is most extensively addressed in the presentation. Compounds that can be followed include hydrocarbons, O2, NO, CO, CO2 and water vapour. Advantage is that the technique is also applicable to hostile systems.

• Download the presentation:
  High-speed, in-situ chemical species tomography in reactors - Downloaded 1871 times

Presentation by: Prof. Enrico Tronconi (Politecnico di Milano, Italy)

Short presentation on the Research group on catalysis and catalytic reaction engineering at Politecnico di Milano.

• Download the presentation:
  Research group on catalysis and catalytic reaction engineering - Downloaded 2175 times

Presentation by: Prof. Guy. B. Marin (Laboratory for Chemical Technology, Ghent University, Belgium)

Extrapolation of kinetics from vapour phase to liquid phase requires knowledge about the fugacity (non-ideality factor) of the components involved (e.g. using Peng-Robinson), an excess physisorption coefficient for important components in the liquid phase, and the catalyst properties (e.g. acidity). The solvating effect on the sorbent network (e.g. zeolite) is important. These effects may cause the selectivity order of n-alkanes to reverse compared to that in the gas phase.

• Download the presentation:
  Liquid phase kinetics based on gas phase experimental data - Downloaded 1741 times

Presentation by: Michel Pons (CAPE-OPEN Laboratories Network, Lyon, France)

This presentation gives an introduction of CAPE-OPEN as interface between different components/tools required in process modelling. It allows to encapsulate reaction packages for use within flowsheeting tools. An example is given how to run a gPROMS model in Aspen HYSYS. Interaction with e.g. thermodynamic tools is comparable. CAPE-OPEN compliant components can be linked as used ‘plug-and-play’. Finally the presentation shows three successful commercial applications at Atofina, IFP, and US/DOE Alstom Power.

• Download the presentation:
  Applications of CAPE-OPEN standards to reactor and kinetic modeling - Downloaded 3805 times

Presentation by: Jonas Sjöblom (Chalmers University of Technology, Göteborg, Sweden)

In this presentation Jonas Sjöblom showed his approach to perform a more efficient estimation of the kinetic parameters using the microkinetics background. By applying latent variable modelling and partial least squares, the kinetic parameters are desribed with a smaller number of more independent parameters. The case study concerns deNOx on Pt/BaO/Al2O3 using propylene as reducing agent. During the discussion the audience expressed concerns about the practical usefullness since the window of the experimental conditions covered would be often too small for this in a reliable way.

• Download the presentation:
  On parameter fitting of Microkinetic mean-field models for catalytic systems - Downloaded 1831 times

Presentation by: Prof. Linda J. Broadbelt, Maria C. Curet-Arana and Shumaila Khan (Department of Chemical Engineering, Northwestern University, Evanston, IL 60208, USA)

Linda Broadbelt gave this presentation to illustrate the automated network generation for elucidating reaction networks, the strategies to be used for generating networks intelligently, and how quantum-chemical calculations can help.

• Download the presentation:
  Methods for Establishing Reaction Networks - Downloaded 1572 times

Presentation by: Prof. Enrico Tronconi (Politecnico di Milano, Italy)

This presentation consists of two parts: (i) transient response methods applied to the kinetic analysis of DeNOx-SCR and (ii) lab-scale structured reactors for kinetic measurements. The first part includes adsorption/desorption/reactivity studies of NH3 + NO, kinetic modelling, and dynamic modelling, including the design of NOx traps. The second part contains the design and operation of a specially designed annular reactor for easy reactor modelling and minimal mass transfer limitations and is applied for the CH4 catalytic combustion. It also contains another special reactor: the metallic plate-type reactor for the kinetic study of catalytic CO oxidation in which the metal plate efficiently removes the reaction heat.

• Download the presentation:
  Advanced approaches to the kinetic study of catalytic reactions - Downloaded 1314 times

Presentation by: Joris W. Thybaut and G.B. Marin (Laboratory for Chemical Technology, Ghent University, Belgium)

This presentation focuses on the application of the relumped single-event model to describe the kinetics of the isomerization and cracking of (cyclo)-alkanes. Additionally, is is used to set up a microkinetic model for the hydrogenation of aromatic components in the simulation of an industrial gas-liquid-solid reactor.

• Download the presentation:
  From Model Component Behaviour to Industrial Reactor Simulation: Aromatic Hydrogenation in Hydrocracking - Downloaded 1259 times