| The enormous complexity of real world reaction systems and the extremely tedious and time-consuming process of building kinetic model for such reaction systems have always been the major obstacles in the application of fundamental kinetic modeling approaches in chemical engineering problems. Through the enhancement of the Kinetic Modeler's Toolbox (KMT) and the development of the Kinetic Model Editor (KME), this work presents an end-to-end solution to the complete kinetic modeling process including the automated feedstock modeling, reaction network constructions, kinetic rate estimations, model programming, process system configurations, model customizations, compilations, executions result analysis.; With improved algorithms, new features and new chemistries, the KMT software has been greatly enhanced and the automated modeling capabilities for complex reaction systems were widely extended to a much broader scientific and engineering field of research.; To resolve the conflicts of the need for frequent model revisions and the complexity of running the KMT software tools, a stand-alone software package, the Kinetic Model Editor, was developed. The KME software tools not only can automate the routine model editing operations such as mechanism modifications, parameter tuning and model program reconstructions, it also proved to be a much more general model building tool than the KMT software tools. With its graphical user interface, the KME has become a comprehensive yet easy-to-use model building platform for the average model users.; Using the KMT and KME software tools, a series of kinetic modeling applications were developed, all of which achieved highly accurate model predictions and excellent model performances. The successful development of these kinetic models further demonstrated the usefulness and efficiency of automated modeling strategies by the KME and KMT software tools. |
