Kinetic modeling applied to hydrocarbon process design and engineering: I. Hydropyrolysis of heavy oils. II. Acetylene from calcium carbide

Development and application of kinetic modeling to process design and engineering for two multiphase heterogeneous reaction systems have been conducted. The systems studied are hydropyrolysis of heavy oils and hydrolysis of calcium carbide.;For the hydropyrolysis study, a simple lumped kinetic model has been developed for upgrading of Utah tar sand bitumens. The model parameters were obtained by Log Likelihood Function on the fit of the model to experimental data and expressed by Arrhenius equations. This predictive model was incorporated into a complete hydropyrolysis process model to account for the effects of important process variables on product distribution. A representative simulation model has been developed by a stepwise procedure: case study, conceptual design of scale-up process, and optimization. It has been shown that simulation and optimization studies of hydropyrolysis process can be carried out using flowsheeting simulation program with realistic economic criteria, resulting in the improvement of the energy efficiency of the process. Process evaluation of the new scheme should be based on the coupling of the process flow and energy integration optimization. The results of this study may serve as a routine tool to advance the hydropyrolysis process toward commercialization.;For the hydrolysis work, fundamental kinetic studies of the reaction between calcium carbide and aqueous solutions were investigated. The rigorous mathematical treatment and its experimental confirmation of this reaction reveal that the rate of adsorption of water on the surface of the calcium carbide particles is the rate-determining step. A two-stage scheme is more efficient compared to previous traditional processes because of the existence of two principal reaction regimes. Strong inhibition effects of additives, ethylene glycol and calcium chloride, were observed. The results of kinetic studies lead to the process design in ways that are fast and complete, efficient, and safe.;The work conducted in this thesis advances the knowledge of process kinetic modeling and its application.