| Gubbins'
Group |
Professor Keith E. Gubbins'
Research Group
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Our research program is aimed
at understanding, at the molecular level, the behavior of
nano-dimensional fluids and solids. The underlying
theme of our work is to develop molecular models that accurately
describe the materials and systems of interest. These models are then
used in molecular simulations and theories to interpret experimental
results, and to predict
behavior that is not accessible to experiment. Experimental
studies complement the molecular simulation work, and comparison
of the two frequently leads to important new insights.
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Currently our interest is focused on
several kinds of system: (a) Micellar and reverse micellar solutions –
their phase behavior, thermodynamics,
surface properties and structure; (b) Nano-porous materials
(solid materials having pores of nanometer dimension), such
as templated mesoporous materials (MCM-41, SBA, etc), activated
carbons, carbon buckytubes, aerogels and xerogels, silicas, etc.; (c)
Chemical reactions in
nano-scale systems, where strong intermolecular interactions
are important (porous materials as nano-scale reactors, reactions
in supercritical fluids, etc.). Micellar solutions are important in
separations and in new technologies
based on CO2 solvent applications. Nano-porous
materials play a prominent role in chemical processing, particularly in
separation and as catalysts and catalyst supports. They can also form
the basis of
future technologies, involving energy storage, as nano-reactors,
as sensors, fabrication of small devices of molecular dimensions,
etc. Both the yield and rate of chemical reactions are strongly
affected by the reduced dimensionality of nano-scale systems, and
experimental studies are
very difficult at this scale.
Publications (2000 - current)
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| Research
Interests |
Current areas of research fall into three areas.
- Micellar and reverse micellar solutions - their
phase behavior,thermodynamics, surface
properties and structure.
- Nano-porous materials such as templated mesoporous
materials (MCM-41, SBA etc.), activated carbons, carbon buckytubes,
aerogels and
xerogels, silicas etc.
- Chemical reactions in nano-scale systems, where
strong intermolecular interaction interactions are important.
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| Group
Photo |
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(left to right)
Katherine A. Phillips, Dr. Erik Santiso, June McKoy, Keith E. Gubbins, Liangliang "Paul" Huang, Cody K. Addington, Yun Long
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(left to right)
Jeremy C. Palmer, Joshua D. Moore, Katherine A. Phillips, Keith E. Gubbins, Liangliang "Paul" Huang, Yun Long
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Front Row: (left to right)
Liping Huang, Keith E. Gubbins, Xiaohua Lu (Visitor), Xin Feng (Visitor), Liangliang "Paul" Huang
Second Row: (left to right)
Thomas Roussel, Surendra Jain
Back Row: (left to right)
Jeremy Palmer, Joshua Moore, Erik Santiso
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| Sponsors |
| We thank the National Science Foundation, the Army Research Office and the Petroleum Research Fund of the American Chemical Society for support of our rsearch programs.
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