Heterogeneous Catalysis
Our interdisciplinary research group studies reaction mechanisms in
catalysis by zeolites, metal oxides, and supported metals.
We do fundamental work on problems of great practical importance.
In the course of research our students learn bench-top catalysis,
mechanistic study by on-line GC-MS and in situ NMR spectroscopy,
and catalyst synthesis. Some of our students also use theoretical
modeling to help them interpret their experimental results. We also
do instrument development as needed to keep us at the forefront of
chemical investigations in catalysis research.
In the past several years we have elucidated many of the details of the
hydrocarbon pool mechanism in methanol-to-olefin (MTO) catalysis.
MTO is a long-standing scientific problem and it is the crucial
central step in the conversion of methane to polyolefins. We are
exploiting this understanding to synthesize new MTO catalysts.
Other mechanistic projects involve hydrocarbon cracking and partial
oxidation catalysis. The development of solid-state NMR methods for
the study of catalysts and other materials is a long-standing interest of the group.
Selected publications
|
1. |
Haw, J. F., "Zeolite Acid
Strength and Reaction Mechanisms in Catalysis", Phys. Chem. Chem. Phys., 2002,
4, 5431-5441. |
|
2. |
Haw, J. F.; Song, W.;
Marcus, D. M.; Nicholas, J. B., "The Mechanism of Methanol to
Hydrocarbon Catalysis", Acc. Chem.
Res. 2003, 36, 317-326. |
|
3. |
Ehresmann, J. O.; Wang, W.;
Herreros, B.; Luigi, D-.P.; Venkatraman, T. N.;
Song, W.; Nicholas, J. B.; Haw, J.
F., "Theoretical and Experimental Investigation of the Effect
of Proton Transfer on the 27Al MAS NMR Line Shapes of
Zeolite-Adsorbate Complexes: An Independent Measure of Solid Acid
Strength", J. Am. Chem. Soc.
2002, 124, 10868-10874. |
|
4. |
Sassi, A.; Wildman, M. A.;
Haw, J. F., "Reactions of Butylbenzene Isomers on Zeolite HBeta:
Methanol-to-Olefins Hydrocarbon Pool Chemistry and Secondary Reactions of
Olefins", J. Phys. Chem. B.
2002, 106,
8768-8773. |
|
5. |
Marcus, D. M.; Song, W.;
Ng, L. L.; Haw, J. F., "Aromatic Hydrocarbon Formation in HSAPO-18
Catalysts: Cage Topology and Acid Site Density", Langmuir 2002, 18,
8386-8391. |
|
6. |
Haw, J. F.; Marcus, D. M.,
"Examples of Organic Reactions on Zeolites: Methanol to Hydrocarbon
Catalysis", in Handbook of
Zeolite Catalysts and Microporous Materials, Editors: Auerbach, S.; Carrado, K.; Dutta, P., 2002, Marcel Dekker, NY. |
|
7. |
Haw, J. F., Editor, In
Situ Spectroscopy in Heterogeneous Catalysis, 2002,
Wiley, NY. |
|
8. |
Fu, H.; Song, W.; Marcus,
D. M.; Haw, J. F., "Ship-in-a-Bottle Synthesis of Methylphenols in
HSAPO-34 Cages From Methanol and Air", J.
Phys. Chem. B. 2002, 106,
5648-5652. |
|
9. |
Song, W.;
Marcus, D. M.; Fu, H.; Ehresmann, J. O.; Haw, J. F., "An
Oft-Studied Reaction That Never Was: Direct Conversion of Methanol or
Dimethylether to Hydrocarbons on the Solid Acids HZSM-5 or HSAPO-34",
J. Am. Chem. Soc. 2002, 124, 3844-3845. |
|
10. |
Sassi, A.; Song, W.;
Wildman, M. A.; Ahn, H. J.; Prasad, P.; Nicholas, J. B.; Haw, J. F.,
"Methylbenzene Chemistry on Zeolite HBeta: Multiple Insights into
Methanol to Olefin Catalysis", J.
Phys. Chem. B. 2002, 106, 2294-2303. |
|
11. |
Song, W.; Fu, H.; Haw, J.
F., "Selective Synthesis of Methylnaphthalenes in HSAPO-34 Cages and
Their Function as Reaction Centers in Methanol-to-Olefin Catalysis", J.
Phys. Chem. B 2001, 105, 12839-12843. |
|
12. |
Song, W.; Fu, H.; Haw, J.
F., "Supramolecular Origins of Product Selectivity for
Methanol-to-Olefin Catalysis on HSAPO-34", J. Am. Chem. Soc. 2001, 122,
4749-4754. |
|
13. |
Barich, D. H.; Nicholas, J.
B.; Haw, J. F., "GIAO Proton Chemical Shifts of Strong Hydrogen
Bonds: the Importance of Electron Correlation", J.
Phys. Chem. A 2001, 105, 4708-4715. |
|
14. |
Song, W.; Nicholas, J. B.;
Haw, J. F., "A Persistent Carbenium Ion on the Methanol-to-Olefin
Catalyst HSAPO-34: Acetone Shows the Way", J. Phys. Chem. B 2001, 105,
4317-4323. |
|
15. |
Song, W.; Nicholas, J. B.;
Haw, J. F., "Acid-Base
Chemistry of a Carbenium Ion in a Zeolite Under Equilibrium Conditions:
Verification of a Theoretical Explanation of Carbenium Ion
Stability", J. Am. Chem. Soc.
2001, 123, 121-129. |
|
16. |
Haw, J. F.; Zhang, J.;
Shimizu, K.; Venkatraman, T. N.; Luigi, D-.P.; Song, W.; Barich, D. H.;
Nicholas, J. B., "NMR and Theoretical Study of Acidity Probes on
Sulfated Zirconia Catalysts",
J. Am. Chem. Soc. 2000, 122,
12561-12570. |
|
17. |
Song, W.; Haw, J. F.;
Nicholas, J. B.; Heneghan, K., "Methylbenzenes are the Organic
Reaction Centers for Methanol to Olefin Catalysis on HSAPO-34",
J. Am. Chem. Soc. 2000, 122, 10726-10727. |
|
18. |
Haw, J. F.; Nicholas, J.
B.; Song, W.; Deng, F.; Wang, Z.; Xu, T.; Heneghan, K., "Roles for
Cyclopentenyl Cations in the Synthesis of Hydrocarbons from Methanol on
Zeolite Catalyst HZSM-5", J.
Am. Chem. Soc. 2000, 122,
4763-4775. |
|
19. |
Zhang, J.; Nicholas, J. B.;
Haw, J. F., "NMR and Theoretical Study of Acid Sites Formed by
Adsorption of SO3 onto Oxide Surfaces", Angew. Chem. Int.
Ed. 2000, 39,
3302-3304. |
20. |
Goguen,
P. W.; Xu, T.; Barich, D. H.; Skloss, T. W.; Song, W.; Wang, Z.; Nicholas,
J. B.; Haw, J. F., "Pulse-Quench Catalytic Reactor Studies Reveal a
Carbon-PoolMechanism in Methanol-to-Gasoline Chemistry on Zeolite
HZSM-5", J. Am. Chem. Soc. 1998,
120, 2650-2651. |
