Founded in 1998, EUROKIN is a consortium of industrial and academic members whose aim is the implementation of best practise in the area of chemical reaction kinetics, particularly in the industrial environment. This includes reactor selection, high-throughput, instationary experimental techniques, intrinsic chemical reaction kinetics, assessment of transport limitations, parameter estimation, modeling, experimental design, software, reaction networks, catalyst deactivation, and workshops.
This is achieved by carrying out work in a number of areas to make the latest knowledge in these fields available to the end user.
In many cases this has resulted in the development of user-friendly tools to allow, for example, more efficient assessment of experimental conditions. Other work is aimed at evaluating software available for processing kinetic data while a number of leading academics and experts have been commissioned to produce reviews of the state-of-the-art in a number of chemical kinetics topics.
The general aim is to produce a pre-competitive toolkit for kinetic research
- Faster, cheaper, and better reaction rate expressions
- Enabling faster-to-market development and more accurate reactor designs
Three working areas can be distinguished:
Experimental set up
- Software for the selection of a suitable test reactor for performing kinetics experiments (includes overview of properties of wide range of experimental reactors)
- Inventory of suppliers of experimental reactors (also for high throughput)
- Spreadsheets to check for the absence of transport limitations using various alternative correlations in a number of different types of experimental reactor (includes fixed beds, slurry reactors, trickle beds, and gas-liquid heterogeneous and homogeneous systems with worked examples and background theory). It appeared that the importance of the catalyst properties and physical properties on the transport limitations and other effects causing non-ideality can be effectively tested using the perturbation approach.
Kinetic data analysis
- Assessment of commercially available software packages for kinetic parameter estimation (includes 4 test cases as well as evaluation and performance results of selected packages)
- Investigation of the application of sequential experimental design for kinetic model discrimination and parameter accuracy (includes theory, inventory of software and test case)
- Coping with Irreducible Transport Limitations (includes details of experimental techniques and model libraries incorporating transport phenomena)
- A model library to facilitate the implementation of the reactor model equations for the estimation of kinetic parameters, which is applicable in various environments by means of DLLs.
- Methods for and modelling of the oxidative decoking of deactivated catalyst beds
- A review of methods and commercial software for the extraction of reaction kinetics from large data sets for high throughput experiments and well as (pilot) plant data
State-of-the-art reviews and case studies
- Methods for establishing reaction networks and lumping (covers both experimental techniques and computational methods)
- Review state-of-the-art in analysis techniques for petroleum fractions and how these may enable better lumping and modelling of complex systems
- Non-experimental methods for estimating reaction rate parameters. These may save effort on expensive laboratory experiments by providing good estimates of kinetic parameters.
- Methods for estimating liquid-phase reaction kinetics based on gas-phase experimental data
- Methods for extracting kinetics from large data sets originating from plants and highthroughput experimentation
- Kinetics of deactivating catalysts (including overview of phenomena, techniques for their diagnosis and methods for accelerated testing)
- Possibilities and challenges in coupling chemical kinetics with computational fluid dynamics (CFD). 2
- Non-steady state methods for estimating reaction rate parameters. A value proposition of the dynamic methods applied at the academic Eurokin members has been published in a public journal.
In addition, regular meetings are held at which progress in the various research areas is presented and to which experts in the field are invited to lecture on the latest advances in chemical kinetics.
Eurokin thus forms the hub of a network of scientists and technologists active in the field focusing on the commercial applicability of the tools and provides the opportunity to swap experience and discuss problems concerning reaction kinetics.
Results are made available through the Eurokin website (http:/www.eurokin.org), access to which is restricted to the Eurokin members although a limited amount of material is accessible for the public domain.