Phase equilibria, diffusivities, and equation of state modeling of HFC-32 and HFC-125 in imidazolium-based ionic liquids for the separation of R-410A ARC Morais, AN Harders, KR Baca, GM Olsen, BJ Befort, AW Dowling, ... Industrial & Engineering Chemistry Research 59 (40), 18222-18235, 2020 | 60 | 2020 |
Machine learning directed optimization of classical molecular modeling force fields BJ Befort, RS DeFever, GM Tow, AW Dowling, EJ Maginn Journal of Chemical Information and Modeling 61 (9), 4400-4414, 2021 | 49 | 2021 |
Sustainable process design & analysis of hybrid separations AK Tula, B Befort, N Garg, KV Camarda, R Gani Computers & Chemical Engineering 105, 96-104, 2017 | 44 | 2017 |
Phase Equilibria and Diffusivities of HFC-32 and HFC-125 in Ionic Liquids for the Separation of R-410A KR Baca, GM Olsen, L Matamoros Valenciano, MG Bennett, DM Haggard, ... ACS Sustainable Chemistry & Engineering 10 (2), 816-830, 2021 | 32 | 2021 |
What data are most valuable to screen ionic liquid entrainers for hydrofluorocarbon refrigerant reuse and recycling? A Garciadiego, BJ Befort, G Franco, M Mazumder, AW Dowling Industrial & Engineering Chemistry Research 61 (50), 18412-18425, 2022 | 11 | 2022 |
Computer Aided Chemical Engineering A Garciadiego, M Mazumder, BJ Befort, AW Dowling Elsevier 49, 307-312, 2022 | 11 | 2022 |
Machine learning-enabled development of accurate force fields for refrigerants N Wang, MN Carlozo, E Marin-Rimoldi, BJ Befort, AW Dowling, ... Journal of Chemical Theory and Computation 19 (14), 4546-4558, 2023 | 9 | 2023 |
Data science for thermodynamic modeling: Case study for ionic liquid and hydrofluorocarbon refrigerant mixtures BJ Befort, A Garciadiego, J Wang, K Wang, G Franco, EJ Maginn, ... Fluid Phase Equilibria 572, 113833, 2023 | 8 | 2023 |
Modeling and optimization of ionic liquid enabled extractive distillation of ternary azeotrope mixtures A Garciadiego, M Mazumder, BJ Befort, AW Dowling Computer Aided Chemical Engineering 49, 307-312, 2022 | 8 | 2022 |
Machine Learning-Enabled Optimization of Force Fields for Hydrofluorocarbons BJ Befort, RS DeFever, EJ Maginn, AW Dowling Computer Aided Chemical Engineering 49, 1249-1254, 2022 | 7 | 2022 |
Bayesian Optimization for Nonlinear Model and Force Field Calibration M Carlozo, B Befort, N Wang, E Maginn, A Dowling 2023 AIChE Annual Meeting, 2023 | | 2023 |
An Integrated Molecular and Process Design and Optimization Framework for Ionic Liquid Enabled Separation of Azeotropic Hydrofluorocarbon Refrigerants BJ Befort University of Notre Dame, 2023 | | 2023 |
Machine Learning-Enabled Optimization of Classical Molecular Models B Befort, RS DeFever, E Maginn, A Dowling 2022 AIChE Annual Meeting, 2022 | | 2022 |
Managing Model and Data Alternatives within the Design of Ionic Liquid Enabled Separations of High Global Warming Potential Hydrofluorocarbon Refrigerants B Befort, A Garciadiego, G Franco, E Maginn, A Dowling 2021 AIChE Annual Meeting, 2021 | | 2021 |
From Data to Process Design: Modeling Azeotropic Separation of High Global Warming Potential Hydrofluorocarbon Refrigerants Using Ionic Liquids A Garciadiego, B Befort, G Franco, A Dowling, E Maginn 2021 AIChE Annual Meeting, 2021 | | 2021 |
Project Earth: Environmentally Applied Research Towards Hydrofluorocarbons K Baca, A Harders, A Yancey-Jardon, E Finberg, GM Olsen, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Process Design Under Uncertainty for Novel Separations of Azeotropic High Global Warming Potential Hydrofluorocarbon Refrigerants Using Ionic Liquids A Garciadiego, B Befort, E Maginn, A Dowling 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Molecular Modeling to Aid the Separation of Azeotropic Mixtures of High Global Warming Potential Hydrofluorocarbon Refrigerants Using Ionic Liquids B Befort, R DeFever, A Dowling, E Maginn 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Discovery of New Ionic Liquids Via Molecular Simulations for the Separation of Azeotropic Mixtures of High Global Warming Potential Hydrofluorocarbon Refrigerants B Befort, A Dowling, E Maginn 2019 AIChE Annual Meeting, 2019 | | 2019 |
Integration of Molecular Simulations and Computer-Aided Molecular Design to Enable Novel Azeotropic Separations B Befort, A Dowling, E Maginn 2019 AIChE Annual Meeting, 2019 | | 2019 |