Software Functionality Assessment for Kinetic Reaction Model Development, Model Discrimination, Parameter Estimation and Design of Experiments

摘要

An inventory was carried out on the capabilities and user-friendliness of commercially available modeling packages aimed at estimation of (kinetic) parameters and capable to describe two or more dimensional reactor models. Four case studies were developed in order to evaluate these packages in more detail. It appeared that all the packages need improvement in order to become really good and user friendly. Especially the quality of the statistics, the number of useful statistical tools and several user-friendliness aspects need significant improvement. However, discussion of these issues with the software vendors already initiated the developers of the packages to improve the software functionality. This paper is a result of co-operation within Eurokin, a consortium of over 10 European companies and 4 universities.