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Summary: Microwave-Driven Zeolite-Guest Systems Show Athermal Effects from
Nonequilibrium Molecular Dynamics
Cristian Blanco and Scott M. Auerbach*,,
Chemistry Department and Chemical Engineering Department, UniVersity of Massachusetts,
Amherst, Massachusetts 01003
Received December 20, 2001
Over the past few years, a flurry of interest has emerged in using
microwaves (MW) in chemical processes, such as catalyst synthesis,
reactions, and separations.1 For example, Turner et al.2 have recently
studied the effects of MW heating on a binary mixture, methanol/
cyclohexane, adsorbed in siliceous zeolites FAU and MFI. They
found that the effect on sorption selectivity from conventional
heating can be reversed by applying MW radiation. However,
because the MW period is long compared to typical thermalization
time scales, it is not clear what microscopic energy distributions
are responsible for the reversed selectivities discussed above. In
the present communication, we focus on determining energy
distributions in MW-driven zeolite-guest systems from microscopic
simulations.
We studied industrially important zeolites that represent extremes
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