This contribution describes a novel process systems engineering framework that couples advanced control with sustainability evaluation for the optimization of process operations to minimize environmental impacts associated with products, materials and energy. The implemented control strategy combines a biologically-inspired method with optimal control concepts for finding more sustainable operating trajectories. The sustainability assessment of process operating points is carried out by using the U.S. EPA’s Gauging Reaction Effectiveness for the ENvironmental Sustainability of Chemistries with a multi-Objective Process Evaluator (GREENSCOPE) tool that provides scores for the selected indicators in the economic, material efficiency, environmental and energy areas. The indicator scores describe process performance on a sustainability measurement scale, effectively determining which operating point is more sustainable if there are more than several steady states for one specific product manufacturing. Through comparisons between a representative benchmark and the optimal steady states obtained through the implementation of the proposed controller, a systematic decision can be made in terms of whether the implementation of the controller is moving the process towards a more sustainable operation. The effectiveness of the proposed framework is illustrated through a case study of a continuous fermentation process for fuel production, whose material and energy time variation models are characterized by multiple steady states and oscillatory conditions.

In this paper, a novel method is proposed for the incorporation of data-driven machine learning techniques into process optimization. Such integration improves the computational time required for calculations during optimization and benefits the online application of advanced control algorithms. The proposed method is illustrated via the chemical absorption-based postcombustion CO₂ capture process, which plays an important role in the reduction of CO₂ emissions to address climate challenges. These processes simulated in a software environment are typically based on first-principle models and calculate physical properties from basic physical quantities such as mass and temperature. Employing first-principle models usually requires a long computation time, making process optimization and control challenging. To overcome this challenge, in this study, machine learning algorithms are used to simulate the postcombustion CO₂ capture process. The extreme gradient boosting (XGBoost) and support vector regression (SVR) algorithms are employed to build models for prediction of carbon capture rate (CR) and specific reboiler duty (SRD). The R² (a statistical measure that represents the fitness) of these models is, on average, greater than 90% for all the cases. XGBoost and SVR take 0.022 and 0.317 s, respectively, to predict CR and SRD of 1318 cases, whereas the first-principal process simulation model needs 3.15 s to calculate one case. The models built by XGBoost are employed in the optimization methods, such as an agent-based approach represented by the particle swarm optimization and stochastic technique indicated by the simulated annealing, to find specific optimal operating conditions. The most economical case, in which the CR is 72.2% and SRD is 4.3 MJ/kg, is obtained during optimization. The results show that computations with the data-driven models incorporated in the optimization technique are faster than first-principle modeling approaches. Thus, the application of machine learning techniques in the optimization of carbon capture technologies is demonstrated successfully.