392244 Influence of an exchange between the reacted and unrelated states of carbon dioxide in an amine-functionalized ionic liquid on diffusion

Tuesday, November 18, 2014: 4:30 PM
208 (Hilton Atlanta)
Eric Hazelbaker1, Samir Budhathoki2, Jindal K. Shah2, Edward Maginn2 and Sergey Vasenkov1, (1)Department of Chemical Engineering, University of Florida, Gainesville, FL, (2)Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN

High field diffusion and exchange NMR were used in combination with kinetic Monte Carlo simulations to study diffusion in a mixture of an amine-functionalized ionic liquid and carbon dioxide. It was found that carbon dioxide exhibits a time-dependent effective diffusivity on a millisecond time scale due to a chemical exchange between the reacted and unrelated states. The details of this type of transport will be discussed in detail.

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