Recent Publications
- Lejarza, M. Baldea, Discovering governing equations via moving horizon learning: the case of reacting systems, AIChE Journal, 68(6), e17567, Jun. 2022 https://doi.org/10.1002/aic.17567 (invited paper for Special Issue on Artificial Intelligence in Chemical Engineering)
- Lejarza, M. T. Kelley, M. Baldea, Closed-loop, feedback-based deterministic optimization is a robust approach for supply chain management under demand uncertainty, Industrial & Engineering Chemistry Research, 61(33),12153-12169 (Invited paper for the Special Issue honoring Joan F. Brennecke) https://doi.org/10.1021/acs.iecr.2c00099
- Giannikopoulos, A. Skouteris, T. F. Edgar, M. Baldea, D. T. Allen, and M. A. Stadtherr, Probing the Impact of an Energy and Transportation Paradigm Shift on the Petrochemicals Industry, Industrial & Engineering Chemistry Research, 61(33), 12169-12179, May 2022 (Invited paper for the Special Issue honoring Joan F. Brennecke) https://doi.org/10.1021/acs.iecr.2c00309
- Lejarza, M. Baldea, Data-Driven Discovery of Governing Equations for Dynamical Systems via Sparse Moving Horizon Optimization, Scientific Reports, 12, 11836, July 2022, https://doi.org/10.1038/s41598-022-13644-w
- Santander, V. Kuppuraj, C. A. Harrison, M. Baldea, An open source FCC model to support developing and benchmarking process control and operations strategies, Computers & Chemical Engineering, 164, 107900, 2022, https://doi.org/10.1016/j.compchemeng.2022.107900
- Santander, V. Kuppuraj, C.A. Harrison, M. Baldea, Integrated deep learning – production planning -economic model predictive control framework for large-scale processes. A fluid catalytic cracker – fractionator case study, Computers & Chemical Engineering, 167, 107977, Nov 2022, https://doi.org/10.1016/j.compchemeng.2022.107977
- Tang, M. Baldea, A Grid View on the Dynamics of Manufacturing Processes Participating in Demand Response Programs, Computers & Chemical Engineering, 169, 108070, Jan. 2023, https://doi.org/10.1016/j.compchemeng.2022.108070
- Santander, G. Giannikopoulos, M. A. Stadtherr, M. Baldea, An Integrated Stochastic Deep Learning – Shortterm Production Scheduling – Optimal Control Framework for General Batch Processes, Industrial & Engineering Chemistry Research, 62(5), 2124–2137, Feb. 2023 https://doi.org/10.1021/acs.iecr.2c02638
- Santander, V. Kuppuraj, C.A. Harrison, M. Baldea, Integrated production planning and model predictive control of a fluidized bed catalytic cracking – fractionator unit, Industrial & Engineering Chemistry Research, 62(6), 2752–2767, Feb. 2023 https://doi.org/10.1021/acs.iecr.2c02715
- Baldea, L. T. Biegler, M. G. Ierapetritou, Editorial for the Festschrift Honoring the Legacy of Babatunde A. Ogunnaike, Industrial & Engineering Chemistry Research, 62, 5, 2049–2051, Feb. 2023 https://doi.org/10.1021/acs.iecr.3c00051
- J.L. Martorell, G.T. Rochelle, M. Baldea, W. Elliott, C. Bauer, Comparison of Detailed Capital Expense Estimates for Two NGCC Retrofits with Capture by Amine Scrubbing, Industrial and Engineering Chemistry Research, 62(10), 4433–4443, Mar. 2023 https://doi.org/10.1021/acs.iecr.2c04311 Available on ChemarXiv https://doi.org/10.26434/chemrxiv-2022-xt6vf
- Lejarza, E. Koninckx, L.J. Broadbelt, M. Baldea, A dynamic nonlinear optimization framework for learning data-driven reduced-order microkinetic models, Chemical Engineering Journal, 462, 142089, Apr. 2023, https://doi.org/10.1016/j.cej.2023.142089
- Santander, V. Kuppuraj, C.A. Harrison, M. Baldea, A Bayesian approach to improving production planning, Computers & Chemical Engineering, 173, 108226, May 2023, https://doi.org/10.1016/j.compchemeng.2023.108226
- Santander, V. Kuppuraj, C.A. Harrison, M. Baldea, A machine learning framework for improving refinery production planning, AIChE Journal, accepted on 4/2/2023, http://doi.org/10.1002/aic.18109
- Santander, V. Kuppuraj, C.A. Harrison, M. Baldea, Deep learning model predictive control frameworks: Application to a fluid catalytic cracker – fractionator operation, Industrial & Engineering Chemistry Research, accepted 5/31/2023
- Seo, A. P. Retnanto, J. L. Martorell, T. F. Edgar, M. A. Stadtherr, M. Baldea, Simultaneous Design and Operational Optimization for Flexible Carbon Capture Process Using Ionic Liquids, Computers & Chemical Engineering, accepted on June 28, 2023
- Santander, M. Baldea, T. A. Soderstrom, Stochastic Model Predictive Control with Closed-Loop Model Updating, Industrial & Engineering Chemistry Research, accepted on 9/4/2023, https://10.1021/acs.iecr.3c01835
- Park, E. Kutanoglu, M. Baldea, Dynamics and uncertainty in circular supply chains, Computers & Chemical Engineering, accepted on 9/30/2023, https://doi.org/10.1016/j.compchemeng.2023.108441
- Seo, J. F. Brennecke, T. F. Edgar, M. A. Stadtherr, M. Baldea, Design and optimization of carbon capture processes using ionic liquid solvents, Current Opinion in Chemical Engineering, submitted on July 6, 2023, accepted on October 2, 2023
- Skouteris, I. Giannikopoulos, T.F. Edgar, D.T. Allen, M. Baldea, M. A. Stadtherr, Implementation of Nonlinear Variable-Cost Network Optimization Models for Technology Assessment in the Petrochemicals Industry, Computers and Chemical Engineering, submitted on July 21, 2023, accepted on October 13, 2023
- A.N. Keller, P. Kelkar, M. Baldea, M.A. Stadtherr, J.F. Brennecke, Thermophysical Property Prediction of Anion-Functionalized Ionic Liquids for CO2 Capture, Journal of Molecular Liquids, accepted on 11/18, 2023
- Baldea, Virtual Issue: A multi-scale view on molecular and process design, Industrial Engineering Chemistry Research, 62(41), 16523–16524, Oct. 18, 2023
- Seo, J. F. Brennecke, T. F. Edgar, M. A. Stadtherr, M. Baldea, Multi-scale design of ionic liquid solvents and capture processes for high-pressure CO2 point sources, ACS Sustainable Chemistry & Engineering, accepted on Dec. 8, 2023
- Santander, V. Kuppuraj, C. A. Harrison, M. Baldea, Deep learning economic model predictive control forrefinery operation: A fluid catalytic cracker – fractionator case study, ICSTCC 2022 to be held in Sinaia, Romania,October 21-23, 2022
- Martorell, G.T. Rochelle, M. Baldea, W. Elliott, C. Bauer, Comparison of detailed capital expense estimates for two NGCC retrofits with capture by amine scrubbing, 16th International Conference on Greenhouse Gas Control Technologies GHGT-16, 23-27th October 2022, Lyon, France
- Seo, A. P. Retnanto, J. L. Martorell, M. A. Stadtherr, T. F. Edgar and M. Baldea, Simultaneous design and operational optimization under uncertainty for flexible carbon capture plants, FOCAPO-CPC 2023, San Antonio,TX, January 2023
- Skouteris, I. Giannikopoulos, D. T. Allen, M. Baldea and M. A. Stadtherr, The future of the chemical industry shaped by global conflicts: impact of major LNG exports on the U.S. chemical industry, FOCAPO-CPC 2023, SanAntonio, TX, January 2023
- Santander, I. Giannikopoluos, M. A. Stadtherr, M. Baldea, An Online Deep Learning – Production Scheduling – Optimal Control Framework for Batch Chemical Processes, 2023 American Control Conference, San Diego, CA, May 31-June 2, 2023
- Jeffrey A. Weinfeld, R. Bruce Eldridge, and Scott Owens, “Development of an Industrial Reactive Dividing Wall Column Process Through Laboratory-scale Experimentation and Modeling,” Chemical Engineering and Processing: Process Intensification, 189, 109380 (2023). [Link to Paper]
- Natalie J. Czarnecki, Scott Owens, and R. Bruce Eldridge, “Extractive Dividing Wall Column for Separating Azeotropic Systems: A Review,” Industrial & Engineering Chemistry Research, 62 (14), 5750−5770 (2023). [Link to Paper]
- Luke H. Macfarlan, Mikey T. Phan, R. Bruce Eldridge, “A Volume-of-Fluid Methodology for Interfacial Mass Transfer ,”Chemical Engineering Science, 275, 118720 (2023). [Link to Paper]
- Jeffrey A. Weinfeld, R. Bruce Eldridge, andhttps://doi.org/10.1016/j.ces.2023.118720 Scott Owens, “Evaluation of the Aldol Condensation of Propionaldehyde as a Reactive Dividing Wall Column Test System,” Industrial & Engineering Chemistry Research, 61 (23), 8220−8232 (2022). [Link to Paper]
- Luke H. Macfarlan, Mikey T. Phan, and R. Bruce Eldridge, “Methodologies for Predicting the Mass Transfer Performance of Structured Packing with Computational Fluid Dynamics: A Review,” Chemicals Engineering and Processing – Process Intensification, 172, 108798 (2022). [Link to Paper]
- Luke H. Macfarlan, Mikey T. Phan, and R. Bruce Eldridge, “Structured Packing Geometry Study for Liquid-Phase Mass Transfer and Hydrodynamic Performance Using CFD,” Chemical Engineering Science, 249, 117353 (2022). [Link to Paper]
- Luke H. Macfarlan, A. Frank Seibert, Mikey T. Phan, and R. Bruce Eldridge, “CFD-Based Study on Structured Packing Geometry,” Chemical Engineering Science, 243, 116767 (2021). [Link to Paper]
- Mitchell Walk, Johannes Hamacher, James J. Downs, Stephen M. Miller, Scott Owens, and R. Bruce Eldridge, “Validation of Differential Temperature Control for a Dividing Wall Distillation Column,” Industrial & Engineering Chemistry Research, 60 (3), 1341−1355 (2021). [Link to Paper]
- Melissa M. Donahue, Michael Baldea, and R. Bruce Eldridge, “Steady State Considerations for Designing Minimum Energy Control Strategies for a Dividing Wall Distillation Column with Trace Components,” Chemical Engineering and Processing: Process Intensification, 145, 107641 (2019). [Link to Paper]
- Melissa M. Donahue, James J. Downs, Michael Baldea, and R. Bruce Eldridge, “Managing Trace Components in a Dividing Wall Distillation Column: An Experimental Study,” Industrial & Engineering Chemistry Research, 58 (28), 12687-12701 (2019). [Link to Paper]
- Jeffrey A. Weinfeld, Scott A. Owens, and R. Bruce Eldridge, “Reactive Dividing Wall Columns: A Comprehensive Review,” Chemical Engineering and Processing: Process Intensification, 123, 20-33 (2018). [Link to Paper]
- Melissa M. Donahue, Bailee J. Roach, James J. Downs, Terrence Blevins, Michael Baldea, and R. Bruce Eldridge, “Dividing Wall Column Control: Common Practices and Key Findings,” Chemical Engineering and Processing: Process Intensification, 107, 106-115 (2016). [Link to Paper]
- Lopez-Marques, H., K.L. Gleason, M. Aguilar-Vega, R. Sulub-Sulub, J.E. Eichler, H. Oh, C.B. Mullins, B.D.Freeman, and M. Kumar, “Water Vapor Sorption and Transport in Carbon Molecular Sieve Membranes,” Journal of Membrane Science, 691, 122170 (2024), https://doi.org/10.1016/j.memsci.2023.122170
- Wade, J.L., H.L. Marques, W. Wang, J. Flory, and B. Freeman, “Moisture-Driven CO2 Pump for Direct Air Capture,” Journal of Membrane Science, 685, 121954 (2023), https://doi.org/10.1016/j.memsci.2023.121954
- Behbahani, H.S., H. Mithaiwala, H.L. Marques, W. Wang, B.D. Freeman, and M.D. Green, “Quaternary Ammonium-Functionalized Poly(Arylene Ether Sulfone) Random Copolymers for Direct Air Capture,” Macromolecules, 56, 6470-6481 (2023), https://doi.org/10.1021/acs.macromol.3c00760
- Zofchak, E.S., Z. Zhang, N. Marioni, H.S. Sachar, B.D. Freeman, and V. Ganesan, “Cation-polymer Interactions and Local Heterogeneity Determine the Relative Order of Alkali Cation Diffusion Coefficients in PEGDA Hydrogels, ”Journal of Membrane Science, 685, 121898 (2023), https://doi.org/10.1016/j.memsci.2023.121898
- Banerjee, P., G.R. Burks, S.B. Bialik, M. Nassr. E. Bello, M. Alleyne, B.D. Freeman, J.E. Barrick, C.M. Schroeder, and D.J. Milliron, “Nanostructure-derived Anti-reflectivity in Leafhopper Brochosomes,” Advanced Photonics Research, 4, 2200343 (2023), https://doi.org/10.1002/adpr.202200343
- Singh, A., T.G. Mason, Z. Lu, A.J. Hill, S.J. Pas, B.M. Teo, B.D. Freeman, and E.I. Izgorodina, “Structural Elucidation of Polydopamine Facilitated by Ionic Liquid Solvation,” Physical Chemistry Chemical Physics, 25, 14700-14710 (2023), https://pubs.rsc.org/en/content/articlelanding/2023/CP/D2CP05439F#!divCitation
- Johnston, J., S. Dischinger, M. Nassr, J.Y. Lee, P. Bigdelou, B.D. Freeman, K. Gleason, D. Martinand, D. Miller, S.M. Rafa, N. Spycher, W. Stringfellow, and N. Tilton, “A Reduced-order Model of Concentration Polarization in Reverse Osmosis Systems with Feed Spacers,” Journal of Membrane Science, 675, 121508 (2023), https://doi.org/10.1016/j.memsci.2023.121508
- Sujanani, R., O. Nordness, A. Miranda, L.E. Katz, J.F. Brennecke, and B.D. Freeman, “Accounting for Ion Pairing Effects on Sulfate Salt Sorption in Cation Exchange Membranes,” Journal of Physical Chemistry, Part B, Section B, 127, 1842-1855 (2023), https://doi.org/10.1021/acs.jpcb.2c07900
- Mason, T.G., B.D. Freeman, and E.I. Izgorodina, “Influencing Molecular Dynamics Simulations of Ion-Exchange Membranes by Considering Comonomer Propagation,” Macromolecules, 56, 1263-1277 (2023), https://doi.org/10.1021/acs.macromol.2c01743
- Lu, J., G. Jiang, H. Zhang, B. Qian, H. Zhu, Q Gu, Y. Yan, J.Z. Liu, B.D. Freeman, L. Jiang, and H. Wang, “An Artificial Sodium-selective Subnanochannel,” Science Advances, 9, eabq1369 (2023), https://doi.org/10.1126/sciadv.abq136
- Li, X., G. Jiang, M. Jian, C. Zhao, J. Hou, A. Thornton, X. Zhang, J.Z. Liu, B. Freeman, H. Wang, L. Jiang, and H. Zhang, “Construction of Angstrom-scale Ion Channels with Versatile Pore Configurations and Sizes by Metal- Organic Frameworks,” Nature Communications, 14, Article Number 286 (2023), https://doi.org/10.1038/s41467-023-35970-x
- Lu, J., G. Jiang, H. Zhang, B. Qian, H. Zhu, Y. Yan, J. Zhu, B.D. Freeman, L. Jiang, H. Wang, “An Artificial Sodium-Selective Subnanochannel,” Science Advances, 9(4), abq1369 (2023), https://doi.org/10.1126/sciadv.abq1369
- H. Jiang, A. D. Ebner and J. A. Ritter, “Theoretical Analysis of the Pressure Regions whereAdsorption Azeotropes Exist in Binary Gas Mixtures,” ACS Omega, 7, 43242-43253 (2022).
- S. A. Adegunju, A. D. Ebner and J. A. Ritter, “Kinetically Limited Linear Driving ForceModel for Diffusion Based Adsorptive Separations,” Ind. Eng. Chem. Res., 61, 17615-17630(2022).
- N. Mohammadi, R. T. Sanders, C. E. Holland, A. D. Ebner and J. A. Ritter, “Non-Experimental Methodology for Developing Pressure Drop Correlations for Structured Adsorbents with Parallel Channels,” Adsorption, 29, 29-43 (2023).
- S. A. Adegunju, P. B. C. A. Amalraj, C. E. Holland, M. J. Nicholson, A. D. Ebner and J. A.Ritter, “Assessment of the New Kinetically Limited LDF Model for Diffusion Limited Separations by PSA,” Ind. Eng. Chem. Res., 63, 579-593 (2024).
- S. A. Adegunju, P. B. C. A. Amalraj, C. E. Holland, M. J. Nicholson, A. D. Ebner and J. A.Ritter, “Assessment of the New Kinetically Limited Linear Driving Force Model for Predicting Diffusion Limited Adsorption Breakthrough Curves,” Adsorption, published 14December 2023 (2023).
- J. A. Ritter, A. D. Ebner and C. E. Holland, “Extremely Large Scale Pressure SwingAdsorption Processes for Flue Gas Treatment,” USP 11,717,786 B1 (2023).
- Akinpelumi, T. Gao, C.-T. Liu, A.S Babu, Y. Wu, G.T. Rochelle. “Pilot plant results with the piperazine advanced stripper at NGCC conditions.” IJGGC, 113, 2022. DOI: 10.1016/j.ijggc.2021.103551
- Klidas, C. Artrip, M. Abreu, G.T. Rochelle. “Round Absorber Design and Cost for PZASTM Capture Process,” in Carbon Dioxide Capture for Storage in Deep Geological Formations, Vol 5. Karl F. Gerdes (Ed) CPL Press and BP. Publication pending.
- Gao, A. Suresh, C.-T. Liu, Y. Wu G.T. Rochelle. “CO2 Capture for Natural Gas Combined Cycles (NGCC) using Piperazine with the Advanced Stripper (PZAS™)” in Carbon Dioxide Capture for Storage in Deep Geological Formations, Vol 5. Karl F. Gerdes (Ed) CPL Press and BP. Publication pending.
- Abreu, G.T. Rochelle. “CO2 absorber intensification by high liquid flux operation.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Closmann, Y. Wu, C.-I. Chen, A. Plantz, G.T. Rochelle. “Pilot Testing of Mitigation Methods for Piperazine Oxidation.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Drewry, G.T. Rochelle. “Rate-based Water Wash Modeling at PZAS FEED Conditions.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- -T. Liu, G.T. Rochelle. “Stainless and carbon steel corrosion in aqueous piperazine at absorber and water wash conditions.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- L. Martorell, M. Baldea, W. Elliott, C. Bauer, G.T. Rochelle. “Comparison of detailed capital expense estimates for two NGCC retrofits with capture by amine scrubbing.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Plantz, Y. Wu, G.T. Rochelle. “Purification of Degraded Aqueous Piperazine by Ion Exchange and Carbon Treating.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Closmann, M. Abreu, A.S. Babu, B. Drewry, T. Gao, W.A. Steen, K. Farmer, S.R. Bryan, M. Bernau, A. Sexton, K. Dombrowski, R. Jones, M. Marsh, B. Piggott, D. Myers, G.T. Rochelle. “Cost Details from Front-End Engineering Design of Piperazine with the Advanced Stripper.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Suresh Babu, G.T. Rochelle. “Heat Loss Characteristics and Energy Use of Piperazine with the Advanced Stripper (PZAS) at the UT-SRP Pilot Plant.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- T. Rochelle. “Air pollution impacts of amine scrubbing for CO2 Capture.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- S. Babu, M. Abreu, B. Drewry, Y.L. Chen, G.T. Rochelle. “Maximum Operating Profit of PZAS at Off-Design Conditions by a Rigorous Rating Model for a 460 MW NGCC.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- C-I. Chen, G.T. Rochelle. “Amine Oxidation Catalyzed by NO2.” Presented at 16th International Conference on Greenhouse Gas Control Technologies, GHGT-16, 23rd-27th October 2022, Lyon, France.
- Plantz, G.T. Rochelle. “Potassium Iodide as an Amine Oxidation Inhibitor in CO2 Capture.” IECR, 2022. DOI: 10.1021/acs.iecr.2c01571
- L. Martorell, M. Baldea, W. Elliott, C. Bauer, G.T. Rochelle. “Lessons Learned: Comparing Two Detailed Capital Cost Estimates for Carbon Capture by Amine Scrubbing.” IECR. 2023, 62, 10, 4433–4443. https://doi.org/10.1021/acs.iecr.2c04311
- Suresh Babu, G.T. Rochelle. “Optimization of Operating Profit for the FEED of the PZAS process for CO2 Capture on a 460 MW NGCC” Submitted to IECR, March 2023
- Closmann, M. Abreu, A. Suresh Babu, B. Drewry, T. Gao, W.A. Steen, K. Farmer, S.R. Bryan, M. Bernau, A. Sexton, K. Dombrowski, R. Jones, M. Marsh, B. Piggott, D. Myers, G.T. Rochelle. “Cost Details from Front-End Engineering Design of Piperazine with the Advanced Stripper.” Submitted to IJGGC (GHGT-16 SI), March 2023.
- Wu, G.T. Rochelle. “Role of carbon treating in piperazine oxidation.” Submitted to IJGGC (GHGT-16 SI), March 2023.
- Closmann, Y. Wu, C-I. Chen, A.Z. Plantz, G.T. Rochelle. “Pilot Testing of Mitigation Methods for Piperazine Oxidation.” Submitted to IJGGC (GHGT-16 SI), March 2023.
- Frank, T. C.; Holden, B. S.; Seibert, A. F. “Section 15: Liquid-Liquid Extraction and Other Liquid-Liquid Operations and Equipment,” Perry’s Chemical Engineers Handbook, 9th edition, ed. Don Green, McGraw-Hill: in press (2018).
- Song, D.; Seibert, F.; Rochelle, G. “Effect of Liquid Viscosity on Mass Transfer in Packings,” Spring AIChE Distillation Symposium 2017.
- Wang, C.; Song, D.; Seibert, F.; Rochelle, G. “Dimensionless Models for Predicting Effective Area, Liquid Film and Gas Film Coefficients of Packing,” Ind. & Eng Chem. Res. 2016, 55, 5373-5384.
- Wang, C.; Seibert, F.; Rochelle, G. “Packing Characterization: Absorber Economic Analysis,” Intl. Jour. Greenhouse Gas Control 2015, 42, 124-131.
- Wang, C.; Perry, M.; Seibert, F.; Rochelle, G. “Packing Characterization for Post Combustion CO2 Capture: Mass Transfer Model Development,” Energy Procedia 2014, 63, 1727-1744.
- Seibert, F. “Chapter 14: Extraction and Leaching,” Chemical Process Equipment Design and Selection, 3rd edition, Elesevier: 2013.
- Additional Publications (pdf)