Using surrogate models for efficient optimization of simulated moving bed chromatography

• A new approach of using computationally cheap surrogate models for optimization of SMB chromatography is presented.
• Two different types of surrogate models are developed to replace the detailed but expensive full-order SMB model for optimization.
• The trust-region framework is proposed to implement an efficient and reliable management of both types of surrogates.
• The results show that the new scheme not only converges to the optimum obtained with the full-order system, but also yields significant computational advantages.

A new approach of using computationally cheap surrogate models for efficient optimization of simulated moving bed (SMB) chromatography is presented. Two different types of surrogate models are developed to replace the detailed but expensive full-order SMB model for optimization purposes. The first type of surrogate is built through a coarse spatial discretization of the first-principles process model. The second one falls into the category of reduced-order modeling. The proper orthogonal decomposition (POD) method is employed to derive cost-efficient reduced-order models (ROMs) for the SMB process. The trust-region optimization framework is proposed to implement an efficient and reliable management of both types of surrogates. The framework restricts the amount of optimization performed with one surrogate and provides an adaptive model update mechanism during the course of optimization. The convergence to an optimum of the original optimization problem can be guaranteed with the help of this model management method. The potential of the new surrogate-based solution algorithm is evaluated by examining a separation problem characterized by nonlinear bi-Langmuir adsorption isotherms. By addressing the feed throughput maximization problem, the performance of each surrogate is compared to that of the standard full-order model based approach in terms of solution accuracy, CPU time and number of iterations. The quantitative results prove that the proposed scheme not only converges to the optimum obtained with the full-order system, but also provides significant computational advantages.