Development of hybrid surrogate model structures for design and optimization of CO₂ capture processes: Part I. Vacuum pressure swing adsorption in a confined space

Design and optimization of CO₂ capture processes have become a tremendously active area of research particularly in the past decade. In this context, development of intelligent techniques on the basis of first-principles models coupled with data-driven algorithms for such purpose looks very promising. In a series of works, we intend to present mechanism approaches in order to develop applicable structures for design and optimization of the CO₂ capture processes of interest via hybrid models. A systematic method is presented for optimizing a process for capturing CO₂ from a confined space through a Vacuum Pressure Swing Adsorption (VPSA) operation using a Hybrid Surrogate Model (HSM) and Non-dominated Sorting Genetic Algorithm (NSGA-III). The surrogate model is structured based on the VPSA process model offered in the Aspen Adsorption® environment and an artificial intelligence (AI) data-driven algorithm. The developed HSM is then used to predict the key process outputs including CO₂ purity, air recovery ratio and energy consumption rate. Accordingly, the optimized parameters are re-substituted into the VPSA process simulator for further data processing. It is demonstrated that the proposed model architecture provides considerable computational efficiency for the process optimization with only 48 h to complete the corresponding evolutionary search, while the optimization time by the conventional NSGA-direct method is close to 1129 h. The optimization results also show that the CO₂ purity changes from 1000 ppm to 399 ppm, the air recovery ratio remains at 93 %, and the energy consumption per unit product (ECP) decreases by 38.5 % to 99.7 kJ·Nm⁻³ air after an optimized air purification operation. The idea of chemical mechanism and industrial data twin modeling in this study holds substantial importance for the development of digital chemical twin systems and the process optimization of intelligent factory