The current programme has been defined for the next two years and divided amongst a number of so-called tasks. There are four categories of tasks in all, each with clear deliverables. A brief summary of each category is given below.
Category A – Theoretical methods to obtain kinetics
Assessment of non-experimental methods and software by means of cases studies of specific reaction networks.
Case studies for assessment of methods and software for estimating relevant parameters (rate constants and activation energies) from databases and theoretical approaches (hydrogenation over a heterogeneous catalyst)
Investigation of theoretical approaches and methods to obtain the reaction kinetics of liquid-phase reactions in an indirect way, e.g. from kinetics measured in the gas phase.
Category B – Experimental methods and reactors to obtain kinetics
Spreadsheets for evaluating absence of transport phenomena
All spreadsheets are continuously maintained and improved based on best practice. For fixed beds the number of correlations and phenomena described was expanded; for trickle beds are more detailed investigation on correlations applicable for beds packed with fines was done. The spreadsheets for the agitated reactors (stirred tanks, slurry reactor, Robinson-Mahoney reactor) are improved and expanded with more correlations.
Reacting particles in fluidized bed reactors
Literature review on methods and models to describe the performance of fluidized beds with reacting particles.
Methods and approaches for describing the diffusivity in catalyst bodies
Review of theoretical approaches and methods to account for the diffusivity in catalyst bodies and the relationship with pore structure analysis.
Reactors for fast exothermic reactions
Review and assessment spreadsheet concerning reactors suitable to measure fast and exo(endo) thermic reactions such as annular coated-wall reactors and micro designs.
Case studies are performed to analyse the added value of non-steady state methods over steady-state methods for obtaining reaction kinetics parameters and other relevant parameters.
Phase (dis)appearance in GLS reactors
Literature review on approaches and methods to adequately describe the effect of appearance and disappearance of a liquid phase in fixed beds. Limitations are listed.
Best experimental practice
Customer workshops sharing experience on various techniques related with reaction kinetics are organised frequently
Category C – Software to obtain kinetics from experimental data
Parameter estimation and design of experiments
The best practice and new developments of software related with reactor modelling, kinetic parameter estimation and the design of experiments is monitored. Additionally, tools were investigated to extrapolate uncertainties in reaction kinetics, catalyst descriptors and physical properties to that in the performance of the industrial reactor.
Category D – Implementation of kinetics
Beginners guide to kinetics
A Eurokin and reaction kinetics beginners’ guide was developed, based on a paper published in CatTech #), to help the user with using the software and other information available on the Eurokin website and to facilitate research in reaction kinetics. The guide has been supplied with hyperlinks to the relevant web pages and there is help on how to perform experiments and analyse experimental data.
The technical plans for the coming year(s) are regularly defined or adjusted at Main Committee meetings which are held three times per year, and which always combined with a workshop focusing on running and completed reviews and tasks.