**Professor Mark A. Stadtherr**

NOTE: This is an incomplete list. Many of the files available here are "preprint" versions which are not necessarily exactly the same as the final published versions. For reprints of the final published versions, contact Professor Stadtherr at markst (at) utexas.edu, or use the DOI links below.

K. Seo, J. F. Brennecke, T. F. Edgar, M. A. Stadtherr, and M. Baldea, "Multi-Scale Design of Ionic Liquid Solvents and Capture Processes for High-Pressure CO

_{2}Point Sources," ACS Sustainable Chem. Eng., 12, 706-715 (2024). [DOI]A. 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," Comput. Chem. Eng., 180, 108459 (2024). [DOI]

A. N. Keller, P. Kelkar, M. Baldea, M. A. Stadtherr, J. F. Brennecke, "Thermophysical Property Prediction of Anion-Functionalized Ionic Liquids for CO

_{2}Capture," J. Molecular Liquids, 393, 123634 (2024). [DOI]K. Seo, T. F. Edgar, M. A. Stadtherr, and M. Baldea, "Design and Optimization of Carbon Capture Processes Using Ionic Liquid Solvents," Current Opinion in Chemical Engineering, 42, 100978 (2023). [DOI]

K. Seo, A. P. Retnanto, J. L. Martorell, T. F. Edgar, M. A. Stadtherr, and M. Baldea, "Simultaneous Design and Operational Optimization for Flexible Carbon Capture Process Using Ionic Liquids," Comput. Chem. Eng., 178, 108344 (2023). [DOI]

O. Santander, I. Giannikopoulos, M. A. Stadtherr, and M. Baldea, "An Integrated Stochastic Deep Learning—Short-Term Production Scheduling—Optimal Control Framework for General Batch Processes," Ind. Eng. Chem. Res., 52, 2124-2137 (2023). [DOI]

A. 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,” Proceedings of Foundations of Computer Aided Process Operations / Chemical Process Control (FOCAPO/CPC 2023), San Antonio, TX, January 8-12, 2023. [reprint]

I. 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," Ind. Eng. Chem. Res., 61, 12169-12179 (2022). [DOI]

A. Skouteris, I. Giannikopoulos, D. T. Allen, M. Baldea, and M. A. Stadtherr, "MINLP Framework for Systems Analysis of the Chemical Manufacturing Industry Using Network Models," Computer Aided Chemical Engineering, 51, 943-948 (2022). [DOI]

K. Seo, Z. Chen, T. F. Edgar, J. F. Brennecke, M. A. Stadtherr, and M. Baldea, "Modeling and Optimization of Ionic-Liquid-Based Carbon Capture: Impact of Thermal Degradation Kinetics" Computer Aided Chemical Engineering, 49, 157-162 (2022). [DOI]

I. Giannikopoulos, A. Skouteris, D. T. Allen, M. Baldea, and M. A. Stadtherr, "Network-Based Analysis of Electrified Chemical Processing with Renewable Energy Sources," Computer Aided Chemical Engineering, 51, 937-942 (2022). [DOI]

I. Giannikopoulos, A. Skouteris, D. T. Allen, M. Baldea, and M. A. Stadtherr, "Multi-Objective Optimization of Production Cost and Carbon Loss in the U.S. Petrochemicals Industry," Computer Aided Chemical Engineering, 49, 547-552 (2022). [DOI]

I. Giannikopoulos, A. Skouteris, T. F. Edgar, M. Baldea, D. T. Allen, and M. A. Stadtherr, "Geospatial Network Approach for Assessing Economic Potential of Ethylene-to-Fuel Technology in the Marcellus Shale Region," Ind. Eng. Chem. Res., 60, 14801-14814 (2021). [DOI]

K. Seo, Z. Chen, T. F. Edgar, J. F. Brennecke, M. A. Stadtherr, M. Baldea. "Modeling and Optimization of Ionic Liquid-Based Carbon Capture Process Using a Thin-Film Unit," Comput. Chem. Eng., 155, 107522 (2021). [DOI]

A. Skouteris, I. Giannikopoulos, T. F. Edgar, M. Baldea, D. T. Allen, and M. A. Stadtherr, "Systems Analysis of Natural Gas Liquid Resources for Chemical Manufacturing: Strategic Utilization of Ethane," Ind. Eng. Chem. Res., 60, 12377-12389 (2021). [DOI]

O. Nordness, P. Kelkar, Y. Lyu, M. Baldea, M. A.Stadtherr, and J. F.Brennecke, "Predicting Thermophysical Properties of Dialkylimidazolium Ionic Liquids from Sigma Profiles," J. Molecular Liquids, 334, 116019 (2021). [DOI]

K. Seo, C. Tsay, T. F. Edgar, M. A. Stadtherr and M. Baldea, "Economic Optimization of Carbon Capture Processes Using Ionic Liquids: Toward Flexibility in Capture Rate and Feed Composition," ACS Sustainable Chem. Eng., 9, 4823-4839 (2021). [DOI]

C. Tsay, F. Lejarza, M. A. Stadtherr and M. Baldea, "Modeling, State Estimation, and Optimal Control for the US COVID-19 Outbreak," Scientific Reports, 10, 10711 (2020). [DOI]

M. J. Lubben, R. I. Canales, Y. Lyu, C. Held, M. Gonzalez-Miquel, M. A. Stadtherr, and J. F. Brennecke, "A Promising Thiolanium Ionic Liquid for Extraction of Aromatics from Aliphatics: Experiments and Modeling," Ind. Eng. Chem. Res., 59, 15707-15017 (2020). [DOI]

K. Seo, C. Tsay, B. Hong, T. F. Edgar, M. A. Stadtherr and M. Baldea, "Rate-Based Process Optimization and Sensitivity Analysis for Ionic-Liquid-Based Post-Combustion Carbon Capture," ACS Sustainable Chem. Eng., 8, 10242-10258 (2020). [DOI]

Y. Lyu, J. F. Brennecke, M. A. Stadtherr, 'Review of Recent Aromatic-Aliphatic-Ionic Liquid Ternary Liquid-Liquid Equilibria and Their Modeling by COSMO-RS," Ind. Eng. Chem. Res., 59, 8871-8893 (2020). [DOI]

H. S. Ganesh, D. P. Dean, S. Vernuccio, T. F. Edgar, M. Baldea, L. J. Broadbelt, M. A. Stadtherr and D. T. Allen, "Product Value Modeling for a Natural Gas Liquid to Liquid Transportation Fuel Process,' Ind. Eng. Chem. Res., 59, 3109-3119 (2020). [DOI]

O. Nordness, P. Kelkar, M. A. Stadtherr, and J. F. Brennecke, "Ion Dissociation in Aqueous 1-Alkyl-3-Methyl-Imidazolium Chlorides and the Impact of Microstructure Formation," Molecular Physics, 117, 3509-3517 (2019).[DOI]

S. E. DeRosa, Y, Kimura, M. A. Stadtherr, G. McGaughey, E. McDonald-Buller, and D. T. Allen, "Network Modeling of the U.S. Petrochemical Industry under Raw Material and Hurricane Harvey Disruptions," Ind. Eng. Chem. Res., 58, 12801-12815 (2019).[DOI]

O. Nordness, L. D. Simoni, M. A. Stadtherr, and J. F. Brennecke, "Characterization of Aqueous 1-Ethyl-3-Methylimidazolium Ionic Liquids for Calculation of Ion Dissociation," J. Phys. Chem. B, 123, 1348-1358 (2019).[DOI]

J. de Riva, V. Ferro, C. Moya, M. A. Stadtherr, J. F. Brennecke, and J. Palomar, "Aspen Plus Supported Analysis of the Post-Combustion CO

_{2}Capture by Chemical Absorption Using the [P_{2228}][CNPyr] and [P_{66614}][CNPyr] AHA Ionic Liquids," Int. J. Greenh. Gas Control, 78, 94-102 (2018). [DOI]B. Hong, L. D. Simoni, J. E. Bennett, J. F. Brennecke and M. A. Stadtherr, "Simultaneous Process and Material Design for Aprotic N-Heterocyclic Anion Ionic Liquids in Postcombustion CO

_{2}Capture," Ind. Eng. Chem. Res., 55, 8432-8849 (2016). [preprint] [DOI]J. R. Vanderveen, R. I. Canales, Y. Quan, C. B. Chalifoux, M. A. Stadtherr, J. F. Brennecke, and P. G. Jessop, "Non-random Two-liquid Modelling of Switchable-Hydrophilicity Solvent Systems: N,N-Dimethylcyclohexanamine, Water, and Toluene," Fluid Phase Equilib., 409, 150-156 (2016). [DOI]

J. A. Enszer, D. A. Măceș and M. A. Stadtherr, "Probability Bounds Analysis for Nonlinear Population Ecology Models," Math. Biosciences, 267, 97-108 (2015). [preprint] [DOI]

S. Seo, L. D. Simoni, M. Ma, M. A. DeSilva, Y. Huang, M. A. Stadtherr, and J. F. Brennecke, "Phase-Change Ionic Liquids for Postcombustion CO

_{2}Capture," Energy Fuels, 28, 5968-5977 (2014). [DOI]G. Mozurkewich, L. D. Simoni, M. A. Stadtherr, and W. F. Schneider, "Performance Implications of Chemical Absorption for the CO

_{2}-Cofluid Refrigeration Cycle," Int. J. Refrigeration, 46, 196-206 (2014). [DOI]D. A. Măceș and M. A. Stadtherr, "Computing Fuzzy Trajectories for Nonlinear Dynamic Systems," Comput. Chem. Eng., 52, 10-25 (2013). [preprint] [DOI]

Y. Zhao and M. A. Stadtherr, "Global Solution of Min-Max Optimization Problems for Nonlinear Dynamic Systems," Computer-Aided Chemical Engineering, 30, 1287-1291 (2012). [DOI]

Y. Zhao and M. A. Stadtherr, "Rigorous Global Optimization for Dynamic Systems Subject to Inequality Path Constraints," Ind. Eng. Chem. Res., 50, 12678-12693 (2011). [preprint] [DOI]

J. A. Enszer, Y. Lin, S. Ferson, G. F. Corliss and M. A. Stadtherr, "Probability Bounds Analysis for Nonlinear Dynamic Process Models," AIChE J., 57, 404-422 (2011). [preprint] [DOI]

J. A. Enszer and M. A. Stadtherr, "Verified Solution and Propagation of Uncertainty in Physiological Models," Reliable Computing, 15, 168-178 (2011). [DOI]

L. D. Simoni, A. Chapeaux, J. F. Brennecke and M. A. Stadtherr, "Extraction of Biofuels and Biofeedstocks from Aqueous Solutions Using Ionic Liquids," Comput. Chem. Eng., 34, 1406-1412 (2010). [preprint] [DOI]

L. D. Simoni, L. E. Ficke, C. A. Lambert, M. A. Stadtherr and J. F. Brennecke, "Measurement and Prediction of Vapor-Liquid Equilibrium of Aqueous 1-Ethyl-3-methylimidazolium-Based Ionic Liquid Systems," Ind. Eng. Chem. Res., 49, 3893-3901 (2010). [DOI]

J. A. Enszer and M. A. Stadtherr, "Verified Solution of Nonlinear Dynamic Models in Epidemiology," in Progress in Industrial Mathematics at ECMI 2008 (eds. A. D. Fitt, J.Norbury, H. Ockendon, E. Wilson), Mathematics in Industry, 15, 557-562 (2010). [DOI]

J. A. Enszer and M. A. Stadtherr, "Verified Solution Method for Population Epidemiology Models with Uncertainty," Int. J. Appl. Math. Comput. Sci., 19, 501-512 (2009). [preprint] [DOI]

J. A. Enszer and M. A. Stadtherr, "Rigorous Propagation of Imprecise Probabilities in Process Models," in Design for Energy and the Environment: Proceedings of the 7th International Conference on the Foundations of Computer-Aided Process Design (eds. M. M. El-Halwagi and A. A. Linninger), pp. 77-92, Taylor & Francis (2009). [reprint]

A. Chapeaux, L. D. Simoni, M. A. Stadtherr and J. F. Brennecke, "Extraction Of Biofuels And Biofeedstocks Using Ionic Liquids," in Design for Energy and the Environment: Proceedings of the 7th International Conference on the Foundations of Computer-Aided Process Design (eds. M. M. El-Halwagi and A. A. Linninger), pp. 369-377, Taylor & Francis (2009). [reprint]

L. D. Simoni, J. F. Brennecke and M. A. Stadtherr, "Asymmetric Framework for Predicting Liquid-Liquid Equilibrium of Ionic Liquid-Mixed-Solvent Systems. 1. Theory, Phase Stability Analysis, and Parameter Estimation," Ind. Eng. Chem. Res., 48, 7246-7256 (2009). [preprint] [DOI]

L. D. Simoni, A. Chapeaux, J. F. Brennecke and M. A. Stadtherr, "Asymmetric Framework for Predicting Liquid-Liquid Equilibrium of Ionic Liquid-Mixed-Solvent Systems. 2. Prediction of Ternary Systems, Ind. Eng. Chem. Res., 48, 7257-7265 (2009). [preprint] [DOI]

Y. Lin and M. A. Stadtherr, "Rigorous Model-Based Safety Analysis for Nonlinear Continuous-Time Systems," Comput. Chem. Eng., 33, 493-502 (2009). [preprint] [DOI]

C. R. Gwaltney, Y. Lin, L. D. Simoni and M. A. Stadtherr, "Interval Methods for Nonlinear Equation Solving Applications," in Handbook of Granular Computing (eds. W. Pedrycz, A. Skowron and V. Kreinovich), John Wiley & Sons Ltd. (2008). [preprint] [DOI]

A. Chapeaux, L. D. Simoni, T. S. Ronan, M. A. Stadtherr and J. F. Brennecke, "Extraction of alcohols from water with 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide," Green Chemistry, 10, 1301-1306 (2008). [DOI]

C.-C. Chen, L. D. Simoni, J. F. Brennecke, and M. A. Stadtherr, "Correlation and Prediction of Phase Behavior of Organic Compounds in Ionic Liquids Using the Nonrandom Two-Liquid Segment Activity Coefficient Model," Ind. Eng. Chem. Res., 47, 7081-7093 (2008). [DOI]

Y. Lin and M. A. Stadtherr, "Fault Detection in Nonlinear Continuous-Time Systems with Uncertain Parameters," AIChE J., 54, 2335-2345 (2008). [preprint] [DOI]

Y. Lin, J. A. Enszer and M. A. Stadtherr, "Enclosing All Solutions of Two-Point Boundary Value Problems for ODEs," Comput. Chem. Eng., 32, 1714-1725 (2008). [preprint] [DOI]

Z. K. Lopez-Castillo, S. N. V. K. Aki, M. A. Stadtherr, and J. F. Brennecke, "Enhanced Solubility of Hydrogen in CO

_{2}-Expanded Liquids," Ind. Eng. Chem. Res., 47, 570-576 (2008). [DOI]L. D. Simoni, Y. Lin, J. F. Brennecke and M. A. Stadtherr, "Modeling Liquid-Liquid Equilibrium of Ionic Liquid Systems with NRTL, Electrolyte-NRTL, and UNIQUAC," Ind. Eng. Chem. Res., 47, 256-272 (2008). [preprint] [DOI]

M. A. Stadtherr, G. Xu, G. I. Burgos-Solorzano and W. D. Haynes, "Reliable Computation of Phase Stability and Equilibrium Using Interval Methods," Int. J. Reliability and Safety, 1, 465-488 (2007). [preprint] [DOI]

A. Chapeaux, L. D. Simoni, M. A. Stadtherr and J. F. Brennecke, "Liquid Phase Behavior of Ionic Liquids with Water and 1-Octanol and Modeling of 1-Octanol/Water Partition Coefficients," J. Chem. Eng. Data, 52, 2462-2467 (2007). [DOI]

Y. Lin and M. A. Stadtherr, "Guaranteed State and Parameter Estimation for Nonlinear Continuous-Time Systems with Bounded-Error Measurements," Ind. Eng. Chem. Res., 46, 7198-7207 (2007). [preprint][DOI]

L. D. Simoni, Y. Lin, J. F. Brennecke and M. A. Stadtherr, "Reliable Computation of Binary Parameters in Activity Coefficient Models for Liquid-Liquid Equilibrium," Fluid Phase Equilib., 255, 138-146 (2007). [preprint][DOI]

C. R. Gwaltney, W. Luo and M. A. Stadtherr, "Computation of Equilibrium States and Bifurcations Using Interval Analysis: Application to Food Chain Models," Ecological Modelling, 203, 495-510 (2007). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "Deterministic Global Optimization of Nonlinear Dynamic Systems," AIChE Journal, 53, 866-875 (2007). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "Validated Solutions of Initial Value Problems for Parametric ODEs," Appl. Numer. Math., 58, 1145-1162 (2007). [preprint][DOI]

C. R. Gwaltney and M. A. Stadtherr, "Reliable Computation of Equilibrium States and Bifurcations in Ecological Systems Analysis," Comput. Chem. Eng., 31, 993-1005 (2007). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "Deterministic Global Optimization for Parameter Estimation of Dynamic Systems," Ind. Eng. Chem. Res., 45, 8438-8448 (2006). [preprint][DOI]

Z. K. Lopez-Castillo, S. N. V. K. Aki, M. A. Stadtherr, and J. F. Brennecke, "Enhanced Solubility of Oxygen and Carbon Monoxide in CO

_{2}-Expanded Liquids," Ind. Eng. Chem. Res., 45, 5351-5360 (2006). [DOI]A. E. Ayala, L. D. Simoni, Y. Lin, J. F. Brennecke and M. A. Stadtherr, "Process Design Using Ionic Liquids: Physical Property Modeling," Computer-Aided Chemical Engineering, 21, 463-468 (2006). [preprint]

Y. Lin and M. A. Stadtherr, "Validated Solution of ODEs with Parametric Uncertainties," Computer-Aided Chemical Engineering, 21, 167-172 (2006). [preprint]

Y. Lin and M. A. Stadtherr, "Validated Solution of Initial Value Problems for ODEs with Interval Parameters," Proceedings of 2nd NSF Workshop on Reliable Engineering Computing (Eds., R. L. Muhanna and R. L. Mullen), Savannah, GA, February 22-24, 2006. [preprint]

Y. Lin, C. R. Gwaltney and M. A. Stadtherr, "Reliable Modeling and Optimization for Chemical Engineering Applications: Interval Analysis Approach," Reliable Computing, 12, 427-450 (2006). [preprint][DOI]

C. R. Gwaltney and M. A. Stadtherr, "Reliable Computation of Equilibrium States and Bifurcations in Nonlinear Dynamics," Lecture Notes in Computer Science, 3732, 122-131 (2006). [DOI]

G. Xu, W. D. Haynes and M. A. Stadtherr, "Reliable Phase Stability Analysis for Asymmetric Models," Fluid Phase Equilib., 235, 152-165 (2005). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "Deterministic Global Optimization of Molecular Structures Using Interval Analysis," J. Comput. Chem., 26, 1413-1420 (2005). [preprint][DOI]

S. Ulas, U. M. Diwekar, and M. A. Stadtherr, "Uncertainties in Parameter Estimation and Optimal Control in Batch Distillation," Comput. Chem. Eng., 29, 1805-1814 (2005). [DOI]

Y. Lin and M. A. Stadtherr, "Locating Stationary Points of Sorbate-Zeolite Potential Energy Surfaces Using Interval Analysis," J. Chem. Phys., 121, 10159-10166 (2004). [preprint][DOI]

C. R. Gwaltney, M. P. Styczynski and M. A. Stadtherr, "Reliable Computation of Equilibrium States and Bifurcations in Food Chain Models," Comput. Chem. Eng., 28, 1981-1996 (2004). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "LP Strategy for Interval-Newton Method in Deterministic Global Optimization," Ind. Eng. Chem. Res., 43, 3741-3749 (2004). [preprint][DOI]

Y. Lin and M. A. Stadtherr, "Advances in Interval Methods for Deterministic Global Optimization in Chemical Engineering," J. Global Optimization, 29, 281-296 (2004). [preprint][DOI]

L. S. Belvèze, J. F. Brennecke and M. A. Stadtherr, "Modeling of Activity Coefficients of Aqueous Solutions of Quaternary Ammonium Salts with the Electrolyte-NRTL Equation," Ind. Eng. Chem. Res., 43, 815-825 (2004). [preprint][DOI]

G. I. Burgos-Solórzano, J. F. Brennecke and M. A. Stadtherr, "Solubility Measurements and Modeling of Molecules of Biological and Pharmaceutical Interest with Supercritical CO

_{2}," Fluid Phase Equilib., 220, 55-67 (2004). [preprint][DOI]G. I. Burgos-Solórzano, J. F. Brennecke and M. A. Stadtherr, "Validated Computing Approach for High-Pressure Chemical and Multiphase Equilibrium," Fluid Phase Equilib., 219, 245-255 (2004). [preprint][DOI]

A. M. Scurto, G. Xu, J. F. Brennecke and M. A. Stadtherr, "Phase Behavior and Reliable Computation of High Pressure Solid-Fluid Equilibrium with Cosolvents," Ind. Eng. Chem. Res., 42, 6464-6475 (2003). [preprint][DOI]

L. A. Blanchard, G. Xu, M. A. Stadtherr and J. F. Brennecke, "Phase Behavior and Its Effects on Reactions and Processing," in Green Chemistry Using Liquid and Supercritical Carbon Dioxide (eds. J. M. Desimone and W. Tumas), Oxford University Press, pp. 3-16 (2003). [preprint]

Y. Lin and M. A. Stadtherr, "LP-Based Strategies for Modeling and Optimization Using Interval Methods," in Proceedings Fourth International Conference on Foundations of Computer-Aided Process Operations (eds. I. E. Grossmann and C. M. McDonald), CACHE Corp., pp. 573-576 (2003). [preprint]

C.-Y. Gau and M. A. Stadtherr, "Deterministic Global Optimization for Data Reconciliation and Parameter Estimation Using Error-in-Variables Approach," in Recent Developments in Optimization and Optimal Control in Chemical Engineering (ed. R. Luus), Transworld Research, pp. 1-17 (2002). [preprint]

C.-Y. Gau and M. A. Stadtherr, "Deterministic Global Optimization for Error-in-Variables Parameter Estimation," AIChE J., 48, 1192-1197 (2002). [preprint][DOI]

C.-Y. Gau and M. A. Stadtherr, "Dynamic Load Balancing for Parallel Interval-Newton Using Message Passing," Comput. Chem. Eng., 26, 811-825 (2002). [preprint][DOI]

C.-Y. Gau and M. A. Stadtherr, "New Interval Methodologies for Reliable Chemical Process Modeling," Comput. Chem. Eng., 26, 827-840 (2002). [preprint][DOI]

J. F. Brennecke and M. A. Stadtherr, "A Course in Environmentally Conscious Chemical Process Engineering," Comput. Chem. Eng., 26, 307-318 (2002). [preprint][DOI]

G. Xu, J. F. Brennecke and M. A. Stadtherr, "Reliable Computation of Phase Stability and Equilibrium from the SAFT Equation of State," Ind. Eng. Chem. Res., 41, 938-952 (2002). [preprint][DOI]

R. W. Maier and M. A. Stadtherr, "Reliable Density-Function-Theory Calculations of Adsorption in Nanoporous Materials," AIChE J., 47, 1874-1884 (2001). [preprint][DOI]

B. A. Stradi, M. A. Stadtherr and J. F. Brennecke, "Multicomponent Phase Equilibrium Measurements and Modeling for the Allylic Epoxidation of

*trans*-2-Hexen-1-ol to (2R,3R)-(+)-3-Propyloxiranemethanol in High-Pressure Carbon Dioxide," J. Supercritical Fluids, 20, 1-13 (2001). [DOI]B. A. Stradi, J. F. Brennecke, J. P. Kohn and M. A. Stadtherr, "Reliable Computation of Mixture Critical Points," AIChE J., 47, 212-221 (2001). [preprint][DOI][ERRATA]

M. A. Stadtherr, "Interval Analysis: Application to Chemical Engineering Design Problems," in Enclyclopedia of Optimization (eds. C. A. Floudas and P. M. Pardalos), Kluwer Academic Publishers (2001). [preprint]

M. A. Stadtherr, "Interval Analysis: Application to Phase Equilibrium Problems," in Enclyclopedia of Optimization (eds. C. A. Floudas and P. M. Pardalos), Kluwer Academic Publishers (2001). [preprint]

C.-Y. Gau and M. A. Stadtherr, "Parallel Branch-and-Bound for Chemical Engineering Applications: Load Balancing and Scheduling Issues," Lecture Notes in Computer Science, 1981, 273-300 (2001). [DOI]

C.-Y. Gau and M. A. Stadtherr, "Reliable Nonlinear Parameter Estimation Using Interval Analysis: Error-in-Variable Approach," Comput. Chem. Eng., 24, 631-638 (2000). [preprint][DOI]

C. -Y. Gau, J. F. Brennecke and M. A. Stadtherr, "Reliable Parameter Estimation in VLE Modeling," Fluid Phase Equilib., 168, 1-18 (2000). [preprint][DOI]

S. R. Tessier, J. F. Brennecke and M. A. Stadtherr, "Reliable Phase Stability Analysis for Excess Gibbs Energy Models," Chem Eng. Sci., 55, 1785-1796 (2000). [preprint][DOI]

R. W. Maier, J. F. Brennecke and M. A. Stadtherr, "Reliable Computation of Reactive Azeotropes," Comput. Chem. Eng., 24, 1851-1858 (2000). [preprint][DOI]

G. Xu, A. M. Scurto, M. Castier, J. F. Brennecke and M. A. Stadtherr, "Reliable Computation of High Pressure Solid-Fluid Equilibrium," Ind. Eng. Chem. Res., 39, 1624-1636 (2000). [preprint][DOI]

B. A. Stradi, G. Xu, J. F. Brennecke and M. A. Stadtherr, "Modeling and Design of an Environmentally Benign Reaction Process," AIChE Symposium Series, 96(323), 371-375 (2000). [preprint]

J. F. Brennecke and M. A. Stadtherr, "A Course in Environmentally Conscious Chemical Process Design," Comput. Chem. Eng., 24, 1375-1380 (2000). [preprint][DOI]

J. F. Brennecke, J. A. Shaeiwitz, M. A. Stadtherr, R. Turton, M. J. McCready, R. A. Schmitz and W. B. Whiting, "Minimizing Environmental Impact of Chemical Manufacturing Processes," Proceedings of ASEE Annual Meeting, St. Louis, MO, June, 2000. [preprint]

K. V. Camarda and M. A. Stadtherr, "Matrix Ordering Strategies for Process Engineering: Graph Partitioning Algorithms for Parallel Computation," Comput. Chem. Eng., 23, 1063-1073 (1999). [preprint][DOI]

M. A. Stadtherr, "High Performance Computing: Are We Just Getting Wrong Answers Faster?" AIChE CAST Communications, 22(1), 6-14 (1999). [HTML][preprint]

J. Z. Hua, R. W. Maier, S. R. Tessier, J. F. Brennecke and M. A. Stadtherr, "Interval Analysis for Thermodynamic Calculations in Process Design: A Novel and Completely Reliable Approach," Fluid Phase Equilib., 158, 607-615 (1999). [preprint][DOI]

C.-Y. Gau and M. A. Stadtherr, "Nonlinear Parameter Estimation Using Interval Analysis," AIChE Symp. Ser., 94(304), 445-450 (1999). [preprint]

J. U. Mallya, S. E. Zitney, S. Choudhary, and M. A. Stadtherr, "Matrix Reordering Effects on a Parallel Frontal Solver for Large Scale Process Simulation," Comput. Chem. Eng., 23, 585-593 (1999). [preprint][DOI]

R. W. Maier, J. F. Brennecke, and M. A. Stadtherr, "Reliable Computation of Homogeneous Azeotropes," AIChE J., 44, 1745-1755 (1998) . [abstract][preprint][DOI]

J. F. Brennecke, J. A. Shaeiwitz, M. A. Stadtherr, R. Turton, M. J. McCready, R. A. Schmitz, and W. B. Whiting, "Minimizing Environmental Impact of Chemical Manufacturing Processes," in Proceedings of ASEE Annual Conference, ASEE (1998). [preprint]

J. Z. Hua, J. F. Brennecke, and M. A. Stadtherr, "Enhanced Interval Analysis for Phase Stability: Cubic Equation of State Models," Ind. Eng. Chem. Res., 37, 1519-1527 (1998).[abstract][preprint][DOI]

J. Z. Hua, J. F. Brennecke, and M. A. Stadtherr, "Reliable Computation of Phase Stability Using Interval Analysis: Cubic Equation of State Models," Comput. Chem. Eng., 22, 1207-1214 (1998).[abstract][preprint][DOI]

B. A. Stradi, J. P. Kohn, M. A. Stadtherr, and J. F. Brennecke, "Phase Behavior of the Reactants, Products and Catalysts Involved in the Allylic Epoxidation of

*trans*-2-Hexen-1-ol to (2R,3R)-(+)-3-Propyloxiranemethanol in High Pressure Carbon Dioxide," J. Supercritical Fluids, 12, 109-122 (1998). [abstract][DOI]K. V. Camarda and M. A. Stadtherr, "Frontal Solvers for Process Engineering: Local Row Ordering Strategies," Comput. Chem. Eng., 22, 333-341 (1998).[abstract][preprint][DOI]

M. A. Stadtherr, "Large-Scale Process Simulation and Optimization in a High Performance Computing Environment," Proceedings of AspenWorld 97, Boston, MA, October 12-16, 1997.[abstract][preprint]

B. A. Stradi-Granados, M. A. Stadtherr, J. P. Kohn, and J. F. Brennecke, "Measurement, Modeling and Computation of the Phase Behavior of CO

_{2}-Based Reaction Systems," in Proc. 1997 Green Chemistry and Engineering Conference, ACS, Washington, DC (1997). [preprint]J. U. Mallya, S. E. Zitney, S. Choudhary, and M. A. Stadtherr, "A Parallel Block Frontal Solver for Large Scale Process Simulation: Reordering Effects," Comput. Chem. Eng., 21, S439-S444 (1997). [abstract][preprint][DOI]

B. Stradi, J. P. Kohn, M. A. Stadtherr, and J. F. Brennecke, "Measurement and Modeling of Phase Equilibrium in a Reaction System Using Environmentally Benign CO

_{2}," in Proc. 4th International Symposium on Supercritical Fluids, I. S. A. S. F., pp. 401-404 (1997). [reprint]J. U. Mallya, M. A. Stadtherr, S. E. Zitney, and S. Choudhary, "A Parallel Frontal Solver for Process Simulation," in Proc. 8th SIAM Conference on Parallel Processing for Scientific Computing (eds. M Heath et al.), SIAM, Philadelphia, PA (1997). [preprint]

J. U. Mallya, S. E. Zitney, S. Choudhary, and M. A. Stadtherr, "A Parallel Frontal Solver for Large Scale Process Simulation and Optimization," AIChE J., 43, 1032-1040 (1997). [abstract][preprint][DOI]

J. U. Mallya and M. A. Stadtherr, "A Multifrontal Approach for Simulating Equilibrium-Stage Processes on Supercomputers," Ind. Eng. Chem. Res., 36, 144-151 (1997). [abstract][preprint][DOI]

M. A. Stadtherr and J. U. Mallya, "Computational Strategies for Chemical Process Engineering Using Parallel/Vector Supercomputers," in Computational Chemistry and Chemical Engineering, eds., G. Cisneros, J. A. Cogordon, M. Castro, and C. Wang, World Scientific, pp. 377-393 (1997). [abstract][preprint]

J. Z. Hua, J. F. Brennecke, and M. A. Stadtherr, "Reliable Phase Stability Analysis for Cubic Equation of State Models," Comput. Chem. Eng., 20, S395-S400 (1996). [abstract][preprint][DOI]

H. N. Cofer and M. A. Stadtherr, "Reliability of Iterative Linear Solvers in Chemical Process Simulation", Comput. Chem. Eng., 20, 1123-1132 (1996). [abstract][DOI]

Z. Hua, J. F. Brennecke, and M. A. Stadtherr, "Reliable Prediction of Phase Stability Using an Interval-Newton Method," Fluid Phase Equilib., 116, 52-59 (1996). [abstract][preprint][DOI]

S. E. Zitney, J. Mallya, T. A. Davis, and M. A. Stadtherr, "Multifrontal vs. Frontal Techniques for Chemical Process Simulation on Supercomputers," Comput. Chem. Eng., 20, 641-646 (1996). [abstract][DOI]

C. A. Schnepper and M. A. Stadtherr, "Robust Process Simulation Using Interval Methods," Comput. Chem. Eng., 20, 187-199 (1996). [abstract][preprint][DOI]

A. B. Coon and M. A. Stadtherr, "Generalized Block-Tridiagonal Matrix Orderings for Parallel Computation in Process Flowsheeting," Comput. Chem. Eng., 19, 787-805 (1995). [abstract][DOI]

M. A. Stadtherr, C. A. Schnepper, and J. F. Brennecke, "Robust Phase Stability Analysis Using Interval Methods," AIChE Symp. Ser., 91(304), 356-359 (1995). [abstract][preprint]

S. E. Zitney, J. Mallya, T. A. Davis, and M. A. Stadtherr, "Multifrontal Techniques for Chemical Process Simulation on Supercomputers," in Proc. Fifth International Symposium on Process Systems Engineering (PSE '94) (ed., E. S. Yoon), pp.25-30, KIChE, Seoul, Korea (1994). [preprint]

A. J. O'Neill, D. J. Kaiser, and M. A. Stadtherr, "Strategies for Multicomponent Equilibrium-Stage Separation Calculations on Parallel Computers," AIChE J., 40, 65-72 (1994). [abstract][DOI]

S. E. Zitney, K. V. Camarda, and M. A. Stadtherr, "Impact of Supercomputing in Simulation and Optimization of Process Operations," in Proc. Second International Conference on Foundations of Computer-Aided Process Operations (Eds., D. W. T. Rippin, J. C. Hale, J. F. Davis), pp. 463-468, CACHE Corp., Austin, TX (1994). [preprint]

R. D. La Roche, M. A. Stadtherr, and R. C. Alkire, "Electrolytic Process Optimization by Simultaneous-Modular Flowsheeting," J. Appl. Electrochem., 24, 1206-1212 (1994). [DOI]

C. A. Schnepper and M. A. Stadtherr, "Application of a Parallel Interval Newton/Generalized Bisection Algorithm to Equation-Based Chemical Process Flowsheeting," Interv. Comput., 1993(4), 40-64 (1993). [abstract] [reprint]

M. A. Stadtherr, H. N. Cofer, and K. V. Camarda, "Computing in 2001-- Hardware: Developing the Metacomputer" Chem. Eng. Prog., 89(11), 27-37 (1993). [abstract][reprint]

S. E. Zitney and M. A. Stadtherr, "Supercomputing Strategies for the Design and Analysis of Complex Separation Systems," Ind. Eng. Chem. Res., 32, 604-612 (1993). [abstract] [DOI]

M. Hoza and M. A. Stadtherr, "An Improved Watchdog Line Search for Successive Quadratic Programming," Comput. Chem. Eng., 17, 943- 947 (1993). [abstract][DOI]

S. E. Zitney and M. A. Stadtherr, "Frontal Algorithms for Equation-Based Chemical Process Flowsheeting on Vector and Parallel Computers," Comput. Chem. Eng., 17, 319-338 (1993). [abstract][DOI]

A. Lefkopoulos and M. A. Stadtherr, "Index Analysis of Unsteady-State Chemical Process Systems--I. An Algorithm for Problem Formulation," Comput. Chem. Eng., 17, 399-414 (1993). [abstract][DOI]

A. Lefkopoulos and M. A. Stadtherr, "Index Analysis of Unsteady-State Chemical Process Systems--II. Strategies for Determining the Overall Flowsheet Index," Comput. Chem. Eng., 17, 415-430 (1993). [abstract][DOI]

M. Hoza and M. A. Stadtherr, "Second Order Correction Methods for Chemical Process Optimization," Comput. Chem. Eng., 16, 901-915 (1992). [abstract][DOI]

J. A. Vegeais and M. A. Stadtherr, "Parallel Processing Strategies for Chemical Process Flowsheeting," AIChE J., 38, 1399-1407 (1992). [abstract][DOI]

A. B. Coon, C. H. Goheen, and M. A. Stadtherr, "Improving Chemical Process Design with Supercomputers," Cray Channels, 13(3), 18-21 (1991). [reprint]

J. A. Vegeais and M. A. Stadtherr, "Vector Processing Strategies for Chemical Process Flowsheeting," AIChE J., 36, 1687-1696 (1990). [abstract][DOI]

A. J. O'Neill, D. J. Kaiser, and M. A. Stadtherr, "A Parallel Computing Strategy for Multicomponent Separation Calculations," in Computer Applications in Chemical Engineering (eds., H. Th. Bussemaker and P. D. Iedema), Proc. Tech. Proc., 9, 239-242 (1990). [reprint]

A. B. Coon and M. A. Stadtherr, "Parallel Sparse Matrix Solvers for Equation-Based Process Flowsheeting," IChemE Symp. Ser., 114, 165-175 (1989). [preprint]

A. B. Coon and M. A. Stadtherr, "Parallel Implementation of Sparse LU Decomposition for Chemical Engineering Applications," Comput. Chem. Eng., 13, 899-914 (1989). [abstract][DOI]

M. A. Stadtherr and R. I. Masel, "Air Flow Temperature Control," in Online Computer Applications in the Undergraduate Chemical Engineering Laboratory (eds., D. A. Mellichamp and A. Cinar, eds.), pp. 205-215, CACHE, Austin, TX (1988). [reprint]

S. E. Zitney and M. A. Stadtherr, 'A Frontal Algorithm for Equation-Based Chemical Process Flowsheeting on Vector Computers," in Proc. Third International Conference on Process Systems Engineering (PSE '88), pp. 288-293, Institution of Engineers--Australia (1988). [reprint]

S. E. Zitney and M. A. Stadtherr, "Computational Experiments in Equation Based Chemical Process Flowsheeting," Comput. Chem. Eng., 12, 1171-1186 (1988). [DOI]

E. T. Sun and M. A. Stadtherr, "Issues in Nonlinear Equation Solving in Chemical Engineering," Comput. Chem. Eng., 12, 1129-1139 (1988). [DOI]

E. T. Sun and M. A. Stadtherr, "On Sparse Finite Difference Schemes Applied to Chemical Process Engineering Problems," Comput. Chem. Eng., 12, 849-851 (1988). [DOI]

M. A. Stadtherr, "Applications of Supercomputers in Chemical Engineering," in Proc. Chem. Eng. Fundamentals, XVIII Congress: The Use of Computers in Chemical Engineering, pp. 821-828 (1987). [reprint]

M. A. Stadtherr, "Advantages of Supercomputers for Chemical Engineering Applications," in Proc. Int. Conf. on Computer Science in the Chemical Industries, Soc. de Chimie Industrielle (1986). [preprint]

J. A. Vegeais, A. B. Coon, and M. A. Stadtherr, "Advanced Computer Architectures: An Overview," Chem. Eng. Prog., 82(12), 23-31 (1986). [reprint]

R. C. Alkire, R. D. La Roche, G. D. Cera, and M. A. Stadtherr, "Computer-Aided Simulation of Electrochemical Process Flowsheets," J. Electrochem. Soc., 133, 290-295 (1986). [DOI]

M. A. Stadtherr and J. A. Vegeais, "Advantages of Supercomputers for Engineering Applications," Chem. Eng. Prog., 81(9), 21-24 (1985). [reprint]

H. S. Chen and M. A. Stadtherr, "A Simultaneous Modular Approach to Process Flowsheeting and Optimization: I. Theory and Implementation," AIChE J., 31, 1843 56 (1985). [DOI]

H. S. Chen and M. A. Stadtherr, "A Simultaneous Modular Approach to Process Flowsheeting and Optimization: II. Performance on Simulation Problems," AIChE J., 31, 1857-67 (1985). [DOI]

H. S. Chen and M. A. Stadtherr, "A Simultaneous Modular Approach to Process Flowsheeting and Optimization: III. Performance on Optimization Problems," AIChE J., 31, 1868-81 (1985). [DOI]

R. C. Alkire, R. D. La Roche, G. D. Cera, and M. A. Stadtherr, "Modeling of an Electrochemical Process Flowsheet Using ASPEN," in Engineering of Industrial Electrolytic Processes (eds., U. Landau, R. E. White and R. D. Varjan), Proceedings of the Electrochemical Society, Volume 86-8, pp. 148-162 (1986). [reprint]

M. A. Stadtherr and J. A. Vegeais, "Process Flowsheeting on Supercomputers," IChemE Symp. Ser., 92, 67-77 (1985). [reprint]

M. A. Stadtherr and J. A. Vegeais, "Recent Progress in Equation-Based Process Flowsheeting," in Proceedings of the 1985 Summer Computer Simulation Conference, pp. 325-330, Society for Computer Simulation (1985). [preprint]

R. C. Alkire, S. A. Soon, and M. A. Stadtherr, "Optimization of Electrolytic Cells," J. Electrochem. Soc., 132, 1105-1111 (1985). [DOI]

R. C. Alkire, S. A. Soon, and M. A. Stadtherr, "Optimization of Electrolytic Cells," in Advances in the Chlor-Alkali and Chlorate Industry (eds., M. M. Silver and E. M. Spore), Proceedings of the Electrochemical Society, Volume 84-11, pp. 222-236 (1984). [reprint]

M. A. Stadtherr and H. S. Chen, "Strategies for Simultaneous-Modular Flowsheeting and Optimization," in Proceedings of the Second International Conference on Foundations of Computer-Aided Process Design (FOCAPD) (eds., A. W. Westerberg and H. H. Chien), pp. 863-889, CACHE (1984). [reprint]

H. S. Chen and M. A. Stadtherr, "Enhancements of the Han-Powell Method for Successive Quadratic Programming," Comput. Chem. Eng., 8, 229-234 (1984). [DOI]

H. S. Chen and M. A. Stadtherr, "On Solving Large Sparse Nonlinear Equation Systems," Comput. Chem. Eng., 8, 1-8 (1984). [DOI]

M. A. Stadtherr and E. S. Wood, "Sparse Matrix Methods for Equation-Based Chemical Process Flowsheeting: I. Reordering Phase," Comput. Chem. Eng., 8, 9 18 (1984). [DOI]

M. A. Stadtherr and E. S. Wood, "Sparse Matrix Methods for Equation-Based Chemical Process Flowsheeting: II. Numerical Phase," Comput. Chem. Eng., 8, 19-23 (1984). [DOI]

R. C. Alkire and M. A. Stadtherr, "Optimization of Electrolytic Cells and Processes," in Tutorial Lectures in Electrochemical Engineering and Technology-II (eds., R. C. Alkire and D. T. Chin), AIChE Symp. Series, 79(229), 135-141 (1983). [reprint]

M. A. Stadtherr and H. S. Chen, "Numerical Techniques for Process Optimization by Successive Quadratic Programming," Eur. Fed. Chem. Eng. Symp. Series, 27, C156-1 - C156-6 (1983). [preprint]

M. A. Stadtherr, G. D. Cera, and R. C. Alkire, "Optimization of an Electrolytic Cell with Use of a GRG Algorithm," Comput. Chem. Eng., 7, 27-34 (1983). [DOI]

M. A. Stadtherr and C. M. Hilton, "Development of a New Equation-Based Process Flowsheeting System: Numerical Studies," in Selected Topics on Computer Aided Process Design and Analysis (eds., R. S. H. Mah and G. V. Reklaitis), AIChE Symp. Series, 78(214), 12-28 (1982). [reprint]

R. C. Alkire, G. D. Cera, and M. A. Stadtherr, "Optimization of Electrolytic Cells Having Large Numbers of Variables," J. Electrochem. Soc., 129, 1225-1231 (1982). [DOI]

M. A. Stadtherr and M. A. Malachowski, "On Efficient Solution of Complex Systems of Interlinked Multistage Separators," Comput. Chem. Eng., 6, 121 130 (1982). [DOI]

M. A. Stadtherr and C. M. Hilton, "On Efficient Solution of Large-Scale Newton-Raphson-Based Flowsheeting Problems in Limited Core," Comput. Chem. Eng., 6, 115-120 (1982). [DOI]

(Review Chapter) T. Beck, R. C. Alkire, N. L. Weinberg, R. Ruggeri, and M. A. Stadtherr, "Electrochemical Engineering of Electro-organic Processes: Illustrated by an Energy Assessment of Some Large-Tonnage Process Chemicals," in Techniques of Chemistry, Volume 5, Part III (eds., N. L. Weinberg and B. V. Tilak), pp. 423-490, Wiley & Sons, New York (1982). [reprint]

H. S. Chen and M. A. Stadtherr, "A Modification of Powell's Dogleg Method for Solving Systems of Nonlinear Equations," Comput. Chem. Eng., 5, 143-150 (1981). [DOI]

(Book) D. F. Rudd, S. Fathi-Afshar, A. A. Treviño, and M. A. Stadtherr, Petrochemical Technology Assessment, Wiley-Interscience, New York (1981). [LCCN] [Google Books]

M. A. Stadtherr and E. S. Wood, "Exploiting Border Structure in Solving Large Sparse Linear Systems in Bordered Triangular Form," Comput. Chem. Eng., 4, 191-199 (1980). [DOI]

R. N. Houze, R. Darby, M. A. Stadtherr, and E. Hartley, "Handling Large Classes: Isn't It Nice to be Popular?", Chem. Eng. Educ., 14, 114-119 (1980). [reprint]

M. A. Stadtherr, "Maintaining Sparsity in Process Design Calculations," AIChE J., 25, 609-615 (1979). [DOI]

M. A. Stadtherr, "A Systems Approach to Assessing New Petrochemical Technology," Chem. Eng. Sci., 33, 921-922 (1978). [DOI]

M. A. Stadtherr and D. F. Rudd, "Resource Use by the Petrochemical Industry," Chem. Eng. Sci., 33, 923-933 (1978). [DOI]

M. A. Stadtherr and D. F. Rudd, "Resource Management in the Petrochemical Industry," Management Science, 24, 740-746 (1978). [DOI]

M. A. Stadtherr and D. F. Rudd, "Systems Study of the Petrochemical Industry," in Chemical Engineering in a Changing World (ed., W. T. Koetsier), pp. 523 536, Elsevier, New York (1976). [reprint]

M. A. Stadtherr and D. F. Rudd, "Systems Study of the Petrochemical Industry," Chem. Eng. Sci., 31, 1019-1028 (1976). [DOI]

M. A. Stadtherr and L. E. Scriven, "Applications of a New Algorithm for Scientific and Design Calculations," Lat. Am. J. Chem. Eng. & Appl. Chem., 4, 47-65 (1974). [reprint]

M. A. Stadtherr and L. E. Scriven, "On Efficient Calculation of Complex Chemical Equilibria," Chem. Eng. Sci., 29, 1165-1172 (1974). [DOI]

M. A. Stadtherr, W. A. Gifford, and L. E. Scriven, "Efficient Solution of Sparse Sets of Design Equations," Chem. Eng. Sci., 29, 1025-1034 (1974). [DOI]

NOTE: This is an incomplete list. Many of the files available here are "preprint" versions which are not
necessarily exactly the same as the final published versions.
For reprints of the final published versions, contact Professor Stadtherr at
markst (at) utexas.edu, or use the DOI links above.