Towards efficient and inherently safer continuous reactor alternatives to batch-wise processing of fine chemicals: CSTR nonlinear dynamics analysis of alkylpyridines N-oxidation

This paper demonstrates the integration of process safety concepts (e.g., reactive chemicals, inherently safer design) with classical reaction engineering/system fundamentals (e.g., first-principles reactor modeling, system dynamics and stability) for identifying economically viable and safe continuous stirred tank reactor (CSTR) designs for scale-up of batch-wise fine chemical and pharmaceutical syntheses. As an illustrative and industrially relevant example, the homogeneous catalytic exothermic N-oxidation of alkylpyridines is investigated using a jacketed CSTR model. Reactor steady-state multiplicity and oscillation phenomena, which may bring about serious incidents, are analyzed based upon system equations. Reactor design and operation conditions as well as start-up strategies and worst-case scenarios are systematically investigated to address process safety concerns and balance reactor efficiency.