On the development of steady-state and dynamic mass-constrained neural networks using noisy transient data

Abstract

This paper presents the development of algorithms for mass-constrained neural network models that can exactly satisfy mass conservation laws of chemical process systems, even if the training data violates the same. As opposed to approximately satisfying mass balance constraints of a system by considering additional penalty terms in the objective function, algorithms have been developed to solve an equality-constrained optimization problem, thus ensuring the exact satisfaction of the overall mass conservation laws. For developing dynamic mass-constrained networks, hybrid series and parallel all-nonlinear static-dynamic neural network models are leveraged. The proposed algorithms for solving both the inverse and forward problems are tested by considering both steady-state and dynamic data in presence of varieties of noise characterizations. The proposed structures and algorithms are applied to the development of data-driven models of two nonlinear dynamic chemical processes, namely the Van de Vusse reactor system as well as a solvent-based post-combustion CO2 capture process.