BSE, University of Pennsylvania PhD, University of California, Berkeley Alexander von Humboldt Research Fellow, University of Leipzig (Germany) CAREER Award, National Science Foundation Molecular modeling; development of new materials, diffusion in nanoporous materials; adsorption; catalysis; membrane separations; energy storage

Research Group Web Site

Our research focuses on adsorption, diffusion, and catalysis in nanoporous materials. We are interested in novel materials such as "molecular squares" and metal-organic frameworks (MOFs), as well as traditional materials such as zeolites that are already widely used in industry. Porous materials with well-controlled structures at the nanoscale can be extremely useful because of their ability to recognize and discriminate between adsorbed molecules. This leads to applications of nanoporous materials in adsorption separations, catalysis, membrane processes, sensing, and energy storage. 

Many of the projects in our group are aimed at solving environmental problems.  Examples include reduction of automotive emissions, development of materials to store hydrogen for fuel cell vehicles, and development of highly selective catalysts for green chemistry processes.

To address these problems, we use powerful molecular modeling techniques.  Our goal is to develop a better understanding of surface interactions and dynamics in nanoporous materials and to exploit this molecular-level information to develop new, highly-selective processes in adsorption separations, catalysis, and energy storage.  Another goal of our research is to develop new simulation methods that can handle an ever-broader range of time and length scales to address important problems that cannot be simulated with current techniques. Several experimental techniques, particularly NMR, play an important role in our work, either within our group or through collaborations.

Recent Publications

R.Q. Snurr, J.T. Hupp, S.T. Nguyen, "Prospects for nanoporous metal-organic materials in advanced separation processes," AIChE J. 50, 1090-1095 (2004). 

S.A. McMillan, L.J. Broadbelt, R.Q. Snurr, "Theoretical modeling of zeolite catalysis:  nitrogen oxide catalysis over metal-exchanged zeolites," in Environmental Catalysis, edited by V.H. Grassian, Taylor & Francis, Boca Raton, 2005; pp. 287-306.

J.L. O'Donnell, X. Zuo, A.J. Goshe, L. Sarkisov, R.Q. Snurr, J.T. Hupp, D.M. Tiede, "Solution-phase structural characterization of supramolecular assemblies by high-angle molecular diffraction," J. Am. Chem. Soc. 129, 1578-1585 (2007).

I. Daems, G.V. Baron, S. Punnathanam, R.Q. Snurr, J.F.M. Denayer, "Molecular cage nestling in the liquid-phase adsorption of n-alkanes in 5A zeolite," J. Phys. Chem. C 111, 2191-2197 (2007).

S. Lichter, A. Martini, R.Q. Snurr, Q. Wang, "Liquid slip in nanoscale channels as a rate process," Phys. Rev. Lett. 98, 226001 (2007).

D. Dubbeldam, K.S. Walton, D.E. Ellis, R.Q. Snurr, "Exceptional negative thermal expansion in metal-organic frameworks," Angew. Chem. Intl. Ed. 46, 4496-4499 (2007).

K.S. Walton, R.Q. Snurr, "Applicability of the BET method for determining surface areas of microporous metal-organic frameworks," J. Am. Chem. Soc. 129, 8552-8556 (2007).

B.L. Severson, R.Q. Snurr, J.M. Ottino, "Granular mixtures:  analogy with chemical solution thermodynamics," J. Chem. Phys. 127, 174902 (2007).

Prof. Randall Q. Snurr
Department of Chemical and Biological Engineering
Northwestern University
2145 Sheridan Road
Evanston, IL 60208-3120

tel: 847/467-2977
fax: 847/491-3728
Email Professor Snurr