Process development and techno-economic analysis for mechanochemical recycling of poly(ethylene terephthalate)

Chemical Engineering Journal 2024

Chemical recycling of consumer plastics has garnered great attention recently towards achieving circular economy goals. Particularly in the case of PET waste, mechanochemical depolymerization in ball mill reactors has been identified as a very promising technology due to the high…

Machine learning in process systems engineering: Challenges and opportunities

Computer Aided Chemical Engineering 2023

This “white paper” is a concise perspective of the potential of machine learning in the process systems engineering (PSE) domain, based on a session during FIPSE 5, held in Crete, Greece, June 27–29, 2022. The session included two invited talks…

Optimization with Neural Network Feasibility Surrogates: Formulations and Application to Security-Constrained Optimal Power Flow

Energies 2023

In many areas of constrained optimization, representing all possible constraints that give rise to an accurate feasible region can be difficult and computationally prohibitive for online use. Satisfying feasibility constraints becomes more challenging in high-dimensional, non-convex regimes which are common…

Physics-based Penalization for Hyperparameter Estimation in Gaussian Process Regression

Computers & Chemical Engineering 2023

In Gaussian Process Regression (GPR), hyperparameters are often estimated by maximizing the marginal likelihood function. However, this data-dominant hyperparameter estimation process can lead to poor extrapolation performance and often violates known physics, especially in sparse data scenarios. In this paper,…

Hybrid Modeling and Multi-Fidelity Approaches for Data-Driven Branch-and-Bound Optimization

Computer Aided Chemical Engineering 2023

High-Fidelity (HF) simulations are essential in quantitative analysis and decision making in engineering. In cases where explicit equations and/or derivatives are unavailable, or in the form of intractable nonlinear formulations, simulation-based optimization methods are used. We recently proposed a data-driven…