The objective of this research project is to characterize the partial oxidation of alkyl aromatics in high-temperature water (HTW) and evaluate the potential of this environmentally benign medium to replace the acetic acid solvent typically used in industrial processes for these chemical transformations. An example of a relevant commercial process is the partial oxidation of p-xylene in acetic acid to produce terephthalic acid, the monomer that is a precursor for polyethylene terephthalate.
This research project focuses on how factors such as reaction temperature, catalyst identity, catalyst concentration, and reactant concentrations affect the yield of terephthalic acid, conversion of p-xylene, and product distribution in HTW and supercritical water (SCW). Reactions are conducted in a batch reactor; liquid and gaseous products are collected during the reaction. The liquid phase is analyzed by high-performance liquid chromatography, and the gaseous phase is analyzed by gas chromatography. Furthermore, an economic and environmental assessment of an HTW-based terephthalic acid synthesis process is conducted. The HTW-based process is more environmentally benign than, and equally capital intensive as, the current acetic acid-based process. The partial oxidation of other alkyl aromatics as well as more extensive analysis of the partial oxidation of p-xylene will be studied through additional experimental work to complete this research.
fellowship, high-temperature water, HTW, supercritical water, SCW, alkyl aromatics, terephthalic acid synthesis, reaction temperature.