• 28376 Citations
1991 …2020

Research output per year

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Research Output

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Conference contribution
2014

Kinetic study of gas phase cyclohexene epoxidation over mesoporous TS-1 with H2O2 vapor

Kwon, S., Schweitzer, N. M., Snurr, R. Q. & Stair, P., Jan 1 2014, Catalysis and Reaction Engineering Division 2014 - Core Programming Area at the 2014 AIChE Annual Meeting. AIChE, Vol. 1. 1 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Modeling and optimization of a two-stage MOF-based pressure/vacuum swing adsorption process coupled with material selection

Leperi, K., Gao, H., Snurr, R. Q. & You, F., Jan 1 2014, 21st International Congress of Chemical and Process Engineering, CHISA 2014 and 17th Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2014. Czech Society of Chemical Engineering, 1 p. (21st International Congress of Chemical and Process Engineering, CHISA 2014 and 17th Conference on Process Integration, Modelling and Optimisation for Energy Saving and Pollution Reduction, PRES 2014; vol. 4).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2013

Modeling, analysis and optimization of process technologies for flue gas dehydration

Gao, H., You, F. & Snurr, R., Jan 1 2013, CO2 Capture 2013 - Topical Conference at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. AIChE, p. 129-130 2 p. (CO2 Capture 2013 - Topical Conference at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Modeling and optimization of a MOF-based pressure/vacuum swing adsorption process coupled with material selection

Gao, H., You, F. & Snurr, R., Jan 1 2013, CO2 Capture 2013 - Topical Conference at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. AIChE, 1 p. (CO2 Capture 2013 - Topical Conference at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Modeling and optimization of a MOF-based pressure/vacuum swing adsorption process coupled with material selection

Gao, H., You, F. & Snurr, R., Jan 1 2013, Separations Division 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. AIChE, 1 p. (Separations Division 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2009

Post-synthesis modification of a metal-organic framework with silver ions

Emberger, G. A., Bae, Y. -S., Nguyen, S., Hupp, J. T., Broadbelt, L. J. & Snurr, R. Q., 2009, Proceedings of the 8th International Conference on Characterisation of Porous Solids. Kaskel, S., Llewellyn, P., Rodriquez-Reinoso, F. & Seaston, N. A. (eds.). Royal Society of Chemistry, p. 126-133 8 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

The effect of framework flexibility on diffusion of small molecules in the metal-organic framework IRMOF-1

Ford, D. C., Dubbeldam, D. & Snurr, R. Q., 2009, The effect of framework flexibility on diffusion of small molecules in the metal-organic framework IRMOF-1. Chmelik, C., Kanellopoulos, N., Kärger, J. & Theodorou, D. (eds.). Leipziger Universitätsverlag

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2008

68C metal organic frameworks for carbon dioxide capture

Benin, A. I., Low, J. J., Faheem, S., Wong-Foy, A. G., Koh, K., Matzger, A. J., Yazaydin, A. O., Snurr, R. Q., Brandani, S., Liu, J., LeVan, M. D. & Willis, R. R., Jan 1 2008, Liaison Functions Conference, Presentations at the 2008 AIChE Spring National Meeting. AIChE, 1 p. (Liaison Functions Conference, Presentations at the 2008 AIChE Spring National Meeting).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Is catenation beneficial for hydrogen storage in metal-organic frameworks?

Ryan, P., Snurr, R. Q. & Broadbelt, L. J., Dec 1 2008, AIChE100 - 2008 AIChE Annual Meeting, Conference Proceedings. (AIChE Annual Meeting, Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Metal organic frameworks for carbon dioxide adsorption from flue gas

Benin, A. I., Faheem, S., Low, J. J., Willis, R. R., Wong-Foy, A. G., Koh, K., Matzger, A. J., Yazaydin, A. O., Snurr, R. Q., Hu, X., Brandani, S., Liu, J. & LeVan, M. D., Dec 1 2008, AIChE100 - 2008 AIChE Annual Meeting, Conference Proceedings. (AIChE Annual Meeting, Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Solid-liquid interface slip as a rate process

Martini, A., Lichter, S. H., Snurr, R. Q. & Wang, Q. J., May 19 2008, 2007 Proceedings of the ASME/STLE International Joint Tribology Conference, IJTC 2007. Vol. PART B. p. 773-774 2 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2007

Adsorption of light gases in large-pore isoreticular metal organic frameworks

Bae, Y. S., Nelson, A., Dubbeldam, D., Frost, H., Hupp, J. T. & Snurr, R. Q., Dec 1 2007, 2007 AIChE Annual Meeting. (2007 AIChE Annual Meeting).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Computational investigations of hydrogen storage in metal-organic frameworks

Frost, H., Dalach, P. J., Ellis, D. E. & Snurr, R. Q., Dec 1 2007, 2007 AIChE Annual Meeting.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Epoxidation of styrene with porphyrin catalysts encapsulated in molecular square cavities

Snurr, R., Curet-Arana, M. C. & Broadbelt, L. J., Dec 31 2007, 234th ACS National Meeting, Abstracts of Scientific Papers. (ACS National Meeting Book of Abstracts).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular modeling of the adsorption of CO2 in metal-organic frameworks

Yazaydin, A. O., Snur, R. & Low, J. J., Dec 1 2007, 2007 AIChE Annual Meeting. (2007 AIChE Annual Meeting).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Synthesis of [bis(pyridine)salen]ZnII – based coordination polymers and their applications in enantioselective separation

Cho, S. -H., Gadzikwa, T., Emberger, G. A., Snurr, R. Q., Nguyen, S. T. & Hupp, J. T., 2007, Synthesis of [bis(pyridine)salen]ZnII – based coordination polymers and their applications in enantioselective separation.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2006

Applicability of the B.E.T method for obtaining surface areas in metal-organic frameworks

Walton, K. S., Frost, H. & Snurr, R. Q., Dec 1 2006, 2006 AIChE Annual Meeting. (AIChE Annual Meeting, Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular modeling to improve hydrogen adsorption in metal-organic frameworks

Frost, H. & Snurr, R. Q., Dec 1 2006, 2006 AIChE Annual Meeting. (AIChE Annual Meeting, Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular simulation of self- and transport diffusion of mixtures in metal-organic frameworks

Dubbeldam, D., Ellis, D. E. & Snurr, R. Q., Dec 1 2006, 2006 AIChE Annual Meeting. (AIChE Annual Meeting, Conference Proceedings).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Origins of pressure and viscosity oscillation with film thickness in ultra thin lubricating films

Martini, A., Snurr, R. Q. & Wang, Q. J., Nov 28 2006, Proceedings of STLE/ASME International Joint Tribology Conference, IJTC 2006. Vol. 2006.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2005

Adsorption fundamentals in metal-organic frameworks from molecular modeling

Frost, H., Düren, T. & Snurr, R. Q., Dec 1 2005, 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. 1 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Determining binary diffusion coefficients for mixtures in zeolites from PFG NMR, MD simulation, and theory

Zhao, Q., Chempath, S. & Snurr, R. Q., 2005, Determining binary diffusion coefficients for mixtures in zeolites from PFG NMR, MD simulation, and theory. Kärger, J., Grinberg, F. & Heitjans, P. (eds.). Leipziger Universitätsverlag

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Integration of a molecular viscosity model and a continuum EHL solution for simulation of thin film lubrication

Martini, A., Liu, Y., Snurr, R. Q. & Wang, Q. J., Dec 1 2005, Proceedings of the World Tribology Congress III - 2005. p. 721-722 2 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Modeling the pressure-density relationship in thin films at asperity contacts in mixed lubrication

Martini, A., Cantrell, R., Wang, Q. & Snurr, R. Q., Jan 1 2005, Proceedings of the World Tribology Congress III - 2005. American Society of Mechanical Engineers, p. 933-934 2 p. (Proceedings of the World Tribology Congress III - 2005).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Modeling the pressure-density relationship in thin films at asperity contacts in mixed lubrication

Martini, A., Cantrell, R., Wang, Q. J. & Snurr, R. Q., Dec 1 2005, Proceedings of the World Tribology Congress III - WTC 2005.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular modeling of advanced materials for adsorption and membrane separations

Düren, T., Sarkisov, L. & Snurr, R. Q., 2005, Proceedings of the 3rd International Conference on Computational Modeling and Simulation of Materials, Part A. Vincenzini, P., Lami, A. & Zerbetto, F. (eds.).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular modeling of catalysis in molecular square nanocavities

Murthi, M. & Snurr, R. Q., Dec 1 2005, 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. 1 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Monte Carlo studies of confined lubricant molecules and the conditions that lead to lubrication failure

Severson, B. L., Ottino, J. M. & Snurr, R. Q., Dec 1 2005, 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. 1 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Multiscale for diffusion-controlled selective catalytic oxidation in nanopores

Albo, S. E., Broadbelt, L. & Snurr, R., Dec 1 2005, 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings. 1 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2002

Modeling the separation of air on zeolites

Low, J. J., Sherman, J. D., Cheng, L. S., Patton, R. L., Gupta, A. & Snurr, R. Q., 2002, Modeling the separation of air on zeolites. Kaneko, K., Kanoh, H. & Hanzawa, Y. (eds.).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2001

Molecular modeling of multicomponent diffusion in zeolites

Snurr, R. Q., Gupta, A. & Sanborn, M. J., 2001, First International Conference on Foundations of Molecular Modeling and Simulation. Cummings, P. T., Westmoreland, P. R. & Carnahan, B. (eds.). American Institute of Chemical Engineers

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular modeling of multicomponent diffusion in zeolites and zeolite membranes

Sanborn, M. J., Gupta, A., Clark, L. A. & Snurr, R. Q., 2001, Molecular modeling of multicomponent diffusion in zeolites and zeolite membranes. Galarneau, A., Di Renzo, F., Fajula, F. & Vedrine, J. (eds.).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Structure and spectra of cobalt-exchanged ferrierite from computational chemistry

McMillan, S. A., Broadbelt, L. J. & Snurr, R. Q., 2001, First International Conference on Foundations of Molecular Modeling and Simulation. American Institute of Chemical Engineers

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Transition-state shape-selectivity insights from a Fukui function overlap method

Clark, L. A. & Snurr, R. Q., 2001, Transition-state shape-selectivity insights from a Fukui function overlap method. Galarneau, A., Di Renzo, F., Fajula, F. & Vedrine, J. (eds.).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1999

An explanation for the enhanced hydrocarbon cracking activity of steamed zeolites

Williams, B. A., Babitz, S. M., Miller, J. T., Snurr, R. Q. & Kung, H. H., 1999, Proceedings of the 12th International Zeolite Conference. Treacy, M. M. J., Marcus, B. K., Bisher, M. E. & Higgins, J. B. (eds.). Materials Research Society

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Molecular segregation effects on adsorption in zeolites

Clark, L. A., Gupta, A. & Snurr, R. Q., 1999, Proceedings of the 12th International Zeolite Conference. Treacy, M. M. J., Marcus, B. K., Bisher, M. E. & Higgins, J. B. (eds.). Materials Research Society

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1996

Catalytic reactions in zeolites studied by in situ PFG NMR and MAS NMR techniques

Kärger, J., Ernst, S., Freude, D., Mildner, T., Schwarz, H. B., Snurr, R. Q. & Weitkamp, J., 1996, Proceedings of the DGMK-Conference. Weitkamp, J. & Lücke, B. (eds.). DGMK-Tagungsbericht

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1993

Molecular simulations of low occupancy adsorption of aromatics in silicalite

Snurr, R. Q., Bell, A. T. & Theodorou, D. N., 1993, Proceedings from the Ninth International Zeolite Conference. von Ballmoos, R., Higgins, J. B. & Treacy, M. M. J. (eds.). Butterworth-Heinemann

Research output: Chapter in Book/Report/Conference proceedingConference contribution