Predictive Analysis and Optimization of the Oxidative Dehydrogenation of Butylene to Butadiene using Machine Learning = Predictive Analysis and Optimization of the Oxidative Dehydrogenation of Butylene to Butadiene using Machine Learning

다국어 초록 (Multilingual Abstract)

In this research, the Computational Fluid Dynamics (CFD) simulation of Butadiene over a ferrite catalyst in a 3-dimensional shell and tube multi-tubular reactor was carried out. A rigorous mathematical formulation of the process kinetics and heat transfer was incorporated into an OpenFOAM CFD model using a porous media. The model results showed close agreements with experimental data when compared. The CFD model was then used to generate data sets for developing a predictive machine-learning algorithm. The results obtained from the predictive algorithm were validated against the CFD model with minimal error. To enhance the efficiency and efficacy of the reactor system and to minimize carbon generation, the predictive model was further expanded to include optimization of the key process parameters, thereby improving the performance of the reactor.