2023
Results of a new inventory and assessment of software packages for chemical reactor simulation, kinetic modelling and parameter estimation focusing on the available functionalities, options, and user-friendliness options. The inventory yielded the following commercial packages: Aspen PLUS, Aspen Custom Modeler, Athena Visual Studio, gPROMS, Matlab, and Presto Kinetics. Three non-commercial packages were included: Copasi, Octave, and microKinetic Engine. The information obtained from the software distributers and the users of the non-commercial packages were collected and compared, resulting in some conclusions. It was not attempted to rank the packages since the purpose of the packages varies too widely. In 2023 the packages KASTER (the follow-up of microKinetic Engine) and Python were added. Additionally, the outlook was updated with an explanation why a more detailed assessment was not carried out. Addition of an appendix containing an overview of the reports and codes on the implementation of the four Eurokin parameter estimation problems from 2000 in the various packages and other evaluations of software packages.
