Enhancing the value of detailed kinetic models through the development of interrogative software applications

A suite of user-friendly software tools was developed to help increase the accessibility of detailed kinetic models to a wide range of users from modelers to research collaborators to process engineers. The aims of these users were the basis for the software development. The tools are illustrated for development, analysis and usage of a detailed catalytic naphtha reforming model. After initial model construction, the Reaction Network Visualizer and KME (Kinetic Model Editor) Results Analyzer helped in understanding the characteristics of the reaction pathways, molecular profile and also assisted in tuning the kinetic parameters. The I/O (Input/Output) Converter permits execution of a molecular-level model in a manner which focuses on only measurable inputs and outputs. The KME Reactor Flowsheet tool increased the core kinetics model capabilities by allowing the model building to be based on data from a pilot or commercial reactor, including schemes with split feed streams and reactor bypasses.