Thermo-oxidative conversion of PDC as a molecular model of residual feedstocks to oxygen-rich chemicals

Abstract

Increased global energy consumption has resulted in more waste and greenhouse gas emissions. To reduce emissions, new technologies for treating and converting such waste with minimal CO₂ emissions are required. In this study, we investigated the thermal oxidative conversion of PDC, a model molecule for residual feedstocks, such as petroleum coke and asphaltenes, to value-added oxygenated chemicals. The investigation was performed experimentally and theoretically. Based on the experimental results, a lumped kinetic model was developed to determine the activation energies and rate constants of the reaction. The reaction route to form CO₂ was not preferred at the temperatures and pressures used in the reactions, as supported by TOC, FTIR, and GC-MS results. Furthermore, according to DFT calculations, –OH plays the most important role in the conversion of PDC, which results in the formation of more stable oxygenated intermediates.