Optimal design and operation of batch reactors. 1. Theoretical framework

We propose a framework for integrated design and operation of single-stage batch or semibatch reactors. This includes systematic decoupling of optimization and design through conceptual decomposition of the reactor dynamics into two subsystems with distinct chacteristics. In this framework, notions of feasibility, flexibility, controllability, and safety of the design for batch processes are introduced for the first time and some criteria for their assessment are presented. The proposed framework includes (a) mathematical modeling of the process dynamics, (b) dynamic optimization that involves simultaneous optimization of loading conditions and operating temperature and/or concentration profiles, (c) design of the heat exchange and/or feeding system(s) and investigation of process operability (feasibility, flexibility, controllability, and safety of the design), and (d) design of a control scheme for automatic startup and optimal operation of the reactor