The current programme is 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
Depolymerization kinetics
Investigation of the conceptualization of lab reactors for depolymerisation kinetics.
Py-oil characteristics: database and impact on downstream processes
In the context of circular economy and chemical recycling, a review is carried out on the available literature on tyre and plastics py-oils and a database that summarize the available literature on py-oil composition.
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, spinning-basket reactor) are improved and expanded with more correlations. Additionally, a spreadsheet for fluidized beds has been developed.
Methods and approaches for describing the mass transport in catalyst bodies
Reviews on optimization of catalyst pore size distribution for the diffusivity in catalyst bodies and porosity modelling from primary nanoparticles.
Colloidal aggregation of colloidal particles under a unidirectional electric field
Review on colloidal aggregation under external stimuli for material synthesis, mainly focusing on catalysis application. Possible stimula are electric fields and magnetic fields.
Recycle reactors
Literature review on approaches and methods to adequately describe reactors with internal and external recycle and related issues such as the residence time distribution, now also focusing towards solids recycle.
Adsorption beds
Review of the types of reactors used for adsorption experiments and their advantages and disadvantages: issues and guidance reported in the literature, recommendations on how to set up adsorption experiments, and methodologies for extracting adsorption kinetics from breakthrough curves.
Electrochemical reactors scale-up
Investigation scale-up factors and scale-up strategies that take electrochemical reactions from the beaker to the pilot plant, including electrocatalytic enhancement of thermally-driven reactions (e.g. reactor design, analytical methods, transport phenomena, influence of current density and overpotential, and cell ageing).
GLS Single-pellet-string reactors
Investigation of the performance of single-pellet string reactors for measuring intrinsic reaction kinetics, now focusing on gas/liquid/solid systems.
Fouling and scale formation
Literature review on key aspects in fouling formation, mechanism steps, detection, approaches to modelling and monitoring fouling.
Electrification of catalytic reactions
Assessment of concepts for the electrification of industrial chemical processes, using electricity generated from renewable energy sources, i.e. green electricity.
Bioprocesses including fermentation
Assessment biomass-based processes and fuels production from e.g. lignocellulosic biomass by means of e.g. fermentation. These can substitute petrochemical intermediates and generate new intermediates.
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 (factorial as well as model-based) 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.
Smart Design of Experiments
Model-based optimal Design of Experiments including model discrimination and uncertainties in parameter estimates, illustrated with case studies implemented in Python.
Machine learning
Review of recent developments in machine learning (data mining) techniques oriented towards process modeling and control with currently the focus on machine learning using previous knowledge in reactor modeling.
Data reconciliation of plant data
Review of methods/tools for data reconciliation and optimal experimental design for improving plant data quality, focusing on the main features of these methodologies and their application to industrial case studies.
Open data format in (catalytic) reaction kinetics
Exploring approaches for a structured format for storage of experimental data on homogeneous and heterogeneous catalytic reaction kinetics (suitable for e.g. data mining), including catalyst properties, catalyst activations, reactor filling and other important data.
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.
Planning
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.
#) CatTech paper: R.J. Berger, E.H. Stitt, G.B. Marin, F. Kapteijn and J.A. Moulijn, Eurokin: chemical reaction kinetics in practice, CatTech, 5(1), 2001, 30-60.
