Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 113, Issue 38, Pages 12635-12638Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp907453a
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- Indo-French Centre for Promotion of Advanced Research, New Delhi [3,108-2]
- DST, New Delhi
- CSIR, New Delhi
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Neutron scattering measurements and molecular dynamics simulations have been carried out on the three isomers of pentane (neopentane (neo), isopentane (iso), and n-pentane (n-)) adsorbed in zeolite NaY. The results show that the self-diffusivity of these isomers follow the order D-s(neo) > D-s(iso) > D-s(n-), suggesting that the larger the cross section perpendicular to the molecular axis of the isomer, the higher the self-diffusivity. This counterintuitive result provides the first direct experimental evidence in support of the Mutual cancellation of forces on the diffusant leading to a diffusivity maximum and is often referred to as the levitation effect. We also provide a direct confirmation of the experimental observations by Kemball (Adv. Catal. 1950, 2, 233) by calculating the entropy.
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