Multi-level optimization strategies for large-scale nonlinear process systems

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With growing needs to develop and improve climate-friendly processes, optimization strategies are essential at all levels of decision-making in chemical and energy processes, including process development, process synthesis and design, as well as process operations, control, scheduling, and planning. Challenges include the formulation of well-posed and well-conditioned process models, and development and application of efficient, reliable optimization algorithms. Here we describe a synthesis of optimization concepts and algorithms that enable large-scale nonlinear programming, nonintrusive decomposition strategies and the inclusion of a wide class of surrogate models. All of these are crucial to address challenging nonconvex, multi-scale problems in Computer Aided Process Engineering (CAPE). These elements are demonstrated through dynamic optimization strategies for novel energy generation, demand-based optimization for specialty chemicals, and optimization with integrated heterogeneous models for carbon capture processes.