Extensive literature has considered reduced, but still highly accurate, nonlinear dynamic process models, particularly for distillation columns. Nevertheless, there is a need for continuing research in this field. Herein, opportunities from the integration of machine learning into existing reduction approaches are discussed. First, key concepts for dynamic model reduction and their limitations are briefly reviewed. Afterwards, promising model structures for reduced hybrid mechanistic/data-driven models are outlined. Finally, crucial future challenges as well as promising research perspectives are presented.

Nonlinear model predictive control requires the solution of nonlinear programs with potentially multiple local solutions. Here, deterministic global optimization can guarantee to find a global optimum. However, its application is currently severely limited by computational cost and requires further developments in problem formulation, optimization solvers, and computing architectures. In this work, we propose a reduced-space formulation for the global optimization of problems with recurrent neural networks (RNN) embedded, based on our recent work on feed-forward artificial neural networks embedded. The method reduces the dimensionality of the optimization problem significantly, lowering the computational cost. We implement the NMPC problem in our open-source solver MAiNGO and solve it using parallel computing on 40 cores. We demonstrate real-time capability for the illustrative van de Vusse CSTR case study. We further propose two alternatives to reduce computational time: i) reformulate the RNN model by exposing a selected state variable to the optimizer; ii) replace the RNN with a neural multi-model. In our numerical case studies each proposal results in a reduction of computational time by an order of magnitude.

Using nonlinear process models in discrete-time scheduling typically prohibits long planning horizons with fine temporal discretizations. Therefore, we propose an adaptive grid algorithm tailored for scheduling subject to time-variable electricity prices. The scheduling problem is formulated in a reduced space. In the algorithm, the number of degrees of freedom is reduced by linearly mapping one degree of freedom to multiple intervals with similar electricity prices. The mapping is iteratively refined using a wavelet-based analysis of the previous solution. We apply the algorithm to the scheduling of a compressed air energy storage. We model the efficiency characteristics of the turbo machinery using artificial neural networks. Using our in-house global solver MAiNGO, the algorithm identifies a feasible near-optimal solution with < 1% deviation in the objective value within < 5% of the computational time compared to a solution considering the full dimensionality.

We propose an algorithm for scheduling subject to time-variable electricity prices using nonlinear process models that enables long planning horizons with fine discretizations. The algorithm relies on a reduced-space formulation and enhances our previous work (Schäfer et al., Comput Chem Eng, 2020;132:106598) by a sensitivity-based refinement procedure. We therein expose the coefficients of the wavelet transform of the time series of independent process variables to the optimizer. The problem size is reduced by truncating the transform and iteratively adjusted using Lagrangian multipliers. We apply the algorithm to the scheduling of a multi-product air separation unit. The nonlinear power consumption characteristic is replaced by an artificial neural network trained on data from a rigorous model. We demonstrate that the proposed algorithm reduces the number of optimization variables by more than one order of magnitude, whilst furnishing feasible schedules with insignificant losses in objective values compared to solutions considering the full dimensionality.