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Scott M. Auerbach

Materials Research Society: Boston 1998

The research in my group has focused on developing novel theory and simulation methods for modeling molecules in zeolites and other shape-selective, nanoporous catalysts. The technological importance of zeolites cannot be overstated, considering that the value of zeolite catalysis to petroleum cracking is well in excess of 100 billion dollars. The wide-ranging applicability of these materials results from strong host-guest interactions, which can severely retard guest mobility, making theoretical modeling nearly intractable. To address this issue, we have applied chemical dynamics and kinetics to diffusion in zeolites, yielding efficient and illustrative theoretical approaches, and important predictions of material properties:

These exciting advances make us hopeful for even further breakthroughs in our understanding of hydrocarbon mobility and reactivity in nanopores.


Prof SM Auerbach
Fri Nov 6 16:19:00 EST 1998


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