# Mark Stadtherr

## Keating-Crawford Professor

Department of Chemical and Biomolecular Engineering

**Keating-Crawford Professor**

College of Engineering

## Education

B.Ch.E., University of Minnesota, Minneapolis (1972)

Ph.D., Chemical Engineering, University of Wisconsin, Madison (1976)

## Biography

Assistant Professor of Chemical Engineering, University of Illinois, Urbana, Illinois, 1976-1982.

Associate Professor of Chemical Engineering, University of Illinois, Urbana, Illinois, 1982-1996.

Visiting Professor, Centre for Process Systems Engineering, Imperial College, London, UK, January-May 2001.

Professor of Chemical Engineering, University of Notre Dame, Notre Dame, Indiana, 1996-2009.

Bernard Keating-Crawford Professor of Engineering, University of Notre Dame, Notre Dame, Indiana, 2009-present.

Concurrent Professor of Applied and Computational Mathematics and Statistics, University of Notre Dame, Notre Dame, Indiana, 2010-present.

### Publications

D. A. Măceș and M. A. Stadtherr, “Computing Fuzzy Trajectories for Nonlinear Dynamic Systems,” *Computers & Chemical Engineering*, 52: 10-25, 2013.

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.

Y. Zhao, and M. A. Stadtherr, “Rigorous Global Optimization for Dynamic Systems Subject to Inequality Path Constraints,” *Industrial & Engineering Chemistry Research*, 48:7246-7256, 2011.

J. A. Enszer, Y. Lin, S. Ferson, G. F. Corliss and M. A. Stadtherr, “Probability Bounds Analysis for Nonlinear Dynamic Process Models,” *AIChE Journal*, 57:404-422, 2011.

L. D. Simoni, A. Chapeaux. J.F. Brennecke and M.S. Stadtherr, “Extraction of Biofuels and Biofeedstocks from Aqueous Solutions Using Ionic Liquids,” *Computers & Chemical Engineering*, 34:3893-3901, 2010.

Y. Lin and M. A. Stadtherr, “Rigorous Model-Based Safety Analysis for Nonlinear Continuous-Time Systems,” *Computers & Chemical Engineering*, 33:493-502, 2009.

Y. Lin and M. A. Stadtherr, “Fault Detection in Nonlinear Continuous-Time Systems with Uncertain Parameters,” *AIChE Journal*, 54:2335-2345, 2008.

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,” *Industrial & Engineering Chemistry Research*, 48:7246-7265, 2009.

### Awards

**Excellence in Teaching Award**

Given on August 21, 1978 by the University of Illinois at Urbana-Champaign, School of Chemical Sciences. This award recognizes excellence in teaching in the School of Chemical Sciences.

**Xerox Award for Faculty Research**

Given on May 14, 1982 by the University of Illinois at Urbana-Champaign, College of Engineering. This award recognizes the most outstanding research by an Assistant Professor in the College of Engineering.

**Computing in Chemical Engineering Award**

Given on November 17, 1998 by the American Institute of Chemical Engineers. This is the top national award for outstanding contributions in the field of computing in chemical engineering.

**James A. Burns, C.S.C., Award**

Given on May 17, 2008 by the University of Notre Dame, Graduate School. This award recognizes exemplary contributions to graduate research and education.

**GTE Emerging Scholar Lectureship,**

University of Notre Dame, Notre Dame, Indiana, November 18, 1986.

**List of Teachers Ranked as** **Excellent by Their Students**

University of Illinois, several appearances, 1976-1995.

## Summary of Activities/Interests

The focus of our research is on the development and application of strategies for reliable engineering computing. In many applications of interest in chemical engineering, it is necessary to deal with nonlinear models of complex physical phenomena, on scales ranging from the macroscopic to the molecular. Frequently these are problems that require solving a nonlinear equation system (algebraic and/or differential) or finding the global optimum of a nonconvex function. Thus, the reliability with which these computations can be done is often an important issue. For example, if there are multiple solutions to the model, have *all* been located? If there are multiple local optima, has the *global* optimum been found? The goal is to develop the tools needed to resolve these issues with mathematical and computational certainty, thus providing a degree of problem-solving reliability not available when using standard methods, and to apply these tools to problems of interest. Since, in some cases, this approach is computationally intense, strategies that take good advantage of parallel computing architectures are also of significant interest.

In recent years, our group has shown that strategies based on the use of *interval mathematics* can be used to reliably solve a wide variety of global optimization and nonlinear equation solving problems of interest in chemical and biomolecular engineering. Some problems of current interest in the group include: 1) Verified solution of uncertain dynamic systems, i.e., problems in which there are uncertainties in model parameters and/or initial conditions, including applications in ecology, physiology, epidemiology and chemical engineering; 2) Parameter estimation in modeling of phase equilibrium, including the implications of using locally vs. globally optimal parameters in subsequent computations; 3) Location of equilibrium states and bifurcations of equilibria in ecosystem models used to assess the risk associated with the introduction of new chemicals into the environment; 4) Molecular modeling, including transition state analysis and the calculation of molecular conformations; and 5) Global optimization, including problems involving dynamic models. Also of special interest (in collaboration with Professor Joan Brennecke and the Notre Dame Energy Center) are modeling problems that arise in the development of sustainable, energy-efficient and environmentally-conscious processing technology, in particular the use of supercritical carbon dioxide and room-temperature ionic liquids as environmentally-benign replacements for traditional organic solvents.