Mathematical modelling of chemical processes—obtaining the best model predictions and parameter estimates using identifiability and estimability procedures

KAP McLean, KB McAuley - The Canadian Journal of Chemical …, 2012 - Wiley Online Library
Chemical engineers who develop fundamental models often have difficulties estimating all
model parameters due to problems with parameter identifiability and estimability. These two …

Tutorial: a beginner's guide to building a representative model of dynamical systems using the adjoint method

L Lettermann, A Jurado, T Betz, F Wörgötter… - Communications …, 2024 - nature.com
Building a representative model of a complex dynamical system from empirical evidence
remains a highly challenging problem. Classically, these models are described by systems …

[KNJIGA][B] Nonlinear programming: concepts, algorithms, and applications to chemical processes

LT Biegler - 2010 - SIAM
Chemical engineering applications have been a source of challenging optimization
problems for over 50 years. For many chemical process systems, detailed steady state and …

Large-scale nonlinear programming using IPOPT: An integrating framework for enterprise-wide dynamic optimization

LT Biegler, VM Zavala - Computers & Chemical Engineering, 2009 - Elsevier
Integration of real-time optimization and control with higher level decision-making
(scheduling and planning) is an essential goal for profitable operation in a highly …

Using stochastic programming to train neural network approximation of nonlinear MPC laws

Y Li, K Hua, Y Cao - Automatica, 2022 - Elsevier
To facilitate the real-time implementation of nonlinear model predictive control (NMPC), this
paper proposes a deep learning-based NMPC scheme, in which the NMPC law is …

[HTML][HTML] Multi-level optimization strategies for large-scale nonlinear process systems

LT Biegler - Computers & Chemical Engineering, 2024 - Elsevier
With growing needs to develop and improve climate-friendly processes, optimization
strategies are essential at all levels of decision-making in chemical and energy processes …

pyomo.dae: a modeling and automatic discretization framework for optimization with differential and algebraic equations

B Nicholson, JD Siirola, JP Watson, VM Zavala… - Mathematical …, 2018 - Springer
We describe pyomo. dae, an open source Python-based modeling framework that enables
high-level abstract specification of optimization problems with differential and algebraic …

Optimal decomposition for distributed optimization in nonlinear model predictive control through community detection

W Tang, A Allman, DB Pourkargar… - Computers & Chemical …, 2018 - Elsevier
Distributed optimization, based on a decomposition of the entire optimization problem, has
been applied to many complex decision making problems in process systems engineering …

Large-scale optimal control of interconnected natural gas and electrical transmission systems

NY Chiang, VM Zavala - Applied Energy, 2016 - Elsevier
We present a detailed optimal control model that captures spatiotemporal interactions
between gas and electric transmission networks. We use the model to study flexibility and …

Stochastic optimal control model for natural gas networks

VM Zavala - Computers & Chemical Engineering, 2014 - Elsevier
We present a stochastic optimal control model to optimize gas network inventories in the
face of system uncertainties. The model captures detailed network dynamics and …