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Keith Gubbins

W.H. Clark Distinguished University Professor Emeritus

Engineering Building I (EB1) 2088A



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.

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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