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Data-driven approximation of thermodynamic phase equilibria

Journal Article · · AIChE Journal
DOI:https://doi.org/10.1002/aic.17624· OSTI ID:1976261

Not provided.

Research Organization:
American Institute of Chemical Engineers (AIChE), New York, NY (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
DOE Contract Number:
EE0007888
OSTI ID:
1976261
Journal Information:
AIChE Journal, Vol. 68, Issue 6; ISSN 0001-1541
Publisher:
American Institute of Chemical Engineers
Country of Publication:
United States
Language:
English

References (48)

Global emissions of fluorinated greenhouse gases 2005–2050 with abatement potentials and costs journal February 2017
Deterministic Global Optimization with Artificial Neural Networks Embedded journal October 2018
Derivative-free optimization: a review of algorithms and comparison of software implementations journal July 2012
Simulation-based optimization with surrogate models—Application to supply chain management journal May 2005
?BB: A global optimization method for general constrained nonconvex problems journal December 1995
Learning surrogate models for simulation-based optimization journal March 2014
Membrane Separation Process Design and Intensification journal April 2021
Process synthesis of biodiesel production plant using artificial neural networks as the surrogate models journal November 2012
Bilevel optimization formulation for parameter estimation in liquid–liquid phase equilibrium problems journal February 2009
Design of computer experiments: A review journal November 2017
A General Framework for Process Synthesis, Integration, and Intensification journal February 2019
Generating a Machine-Learned Equation of State for Fluid Properties journal September 2020
Solubility and diffusivity of 1,1,1,2-tetrafluoroethane in room-temperature ionic liquids journal April 2006
An algorithm for the use of surrogate models in modular flowsheet optimization journal October 2008
Advances in surrogate based modeling, feasibility analysis, and optimization: A review journal January 2018
Solubility and diffusivity of hydrofluorocarbons in room-temperature ionic liquids journal January 2006
GLOPEQ: A new computational tool for the phase and chemical equilibrium problem journal September 1997
Surrogate-based superstructure optimization framework journal June 2010
Global Convergence of General Derivative-Free Trust-Region Algorithms to First- and Second-Order Critical Points journal January 2009
UNIPOPT: Univariate projection-based optimization without derivatives journal August 2019
Global optimization of distillation columns using explicit and implicit surrogate models journal April 2019
Adaptive sequential sampling for surrogate model generation with artificial neural networks journal September 2014
Managing uncertainty in data-driven simulation-based optimization journal May 2020
Rigorous Design of Complex Distillation Columns Using Process Simulators and the Particle Swarm Optimization Algorithm journal October 2013
Global optimization of general constrained grey-box models: new method and its application to constrained PDEs for pressure swing adsorption journal November 2015
A Taxonomy of Global Optimization Methods Based on Response Surfaces journal December 2001
Surrogate modelling of VLE: Integrating machine learning with thermodynamic constraints journal November 2020
Surrogate modeling of phase equilibrium calculations using adaptive sampling journal July 2019
SPICE_MARS: A Process Synthesis Framework for Membrane-Assisted Reactive Separations journal May 2021
Modeling and thermodynamic consistency of solubility data of refrigerants in ionic liquids journal December 2013
A trust region filter method for glass box/black box optimization journal June 2016
Algorithm 909: NOMAD: Nonlinear Optimization with the MADS Algorithm journal February 2011
Systematic process intensification using building blocks journal October 2017
Efficient Global Optimization of Expensive Black-Box Functions journal January 1998
A trust region-based two phase algorithm for constrained black-box and grey-box optimization with infeasible initial point journal August 2018
Recent advances in surrogate-based optimization journal January 2009
Continuous Piecewise Linear Delta-Approximations for Bivariate and Multivariate Functions journal December 2014
Deterministic global process optimization: Accurate (single-species) properties via artificial neural networks journal February 2019
Toward the Recycling of Low-GWP Hydrofluorocarbon/Hydrofluoroolefin Refrigerant Mixtures Using Composite Ionic Liquid–Polymer Membranes journal May 2021
A trust-region framework for constrained optimization using reduced order modeling journal September 2011
Bounding convex relaxations of process models from below by tractable black-box sampling journal October 2021
Deterministic global derivative-free optimization of black-box problems with bounded Hessian journal March 2019
Logic hybrid simulation-optimization algorithm for distillation design journal January 2015
Sustainable Process Intensification Using Building Blocks journal November 2020
Deterministic global optimization of process flowsheets in a reduced space using McCormick relaxations journal August 2017
An evaluation of adaptive surrogate modeling based optimization with two benchmark problems journal October 2014
ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations journal March 2014
Phase equilibria of imidazolium ionic liquids and the refrigerant gas, 1,1,1,2-tetrafluoroethane (R-134a) journal November 2009