Time-Dependent Physicochemical Processes - A Computer-Assis-ted Exploration

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The research is aimed at gaining fundamental understanding of non- steady-state reactive and transport processes. Most chemical and physicochemical processes are designed, operated and controlled at steady-state conditions. This work will capitalize on the instabilities during dynamic behavior to study: the identification and discrimination of reaction mechanisms; the potential increase of time- averaged process yields under oscillatory conditions; and the justification and improvement of phenomenological relations through first principles modeling. The work will include the development, implementation and testing of new algorithms for the study of dynamic phenomena that have not so far been systematically studied or understood.