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Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh by Nirala Singh; Mal-Soon Lee; Sneha A. Akhade; Guanhua Cheng; Donald M. Camaioni; Oliver Y. Gutiérrez; Vassiliki-Alexandra Glezakou; Roger Rousseau; Johannes A. Lercher; Charles T. Campbell is a Chemistry article available to read on EtoBox.

What is Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh about?

In aqueous phase, the rates of hydrogenation of aromatic substrates such as phenol on Pt/C and Rh/C are influenced by varying activity of hydronium ions. Decreasing the pH from 8 to 1 increases the rate of hydrogenation of phenol on Pt at 20 bar H 2 by 15-fold. This increase is attributed to weakening of the hydrogen binding energy (HBE) on the metal surface with decreasing pH. A weaker HBE at lower pH is also predicted by ab initio molecular dynamics simulations, providing atomistic insight into the impact of electrolyte ion distribution and interfacial solvent reorganization on HBE. The lower HBE results in a decrease in the activation energy for addition of adsorbed H from the metal to the adsorbed organic (with a Brønsted-Evans-Polanyi slope of ~1). The kinetic model derived accounts also for the lack of pH dependence at low hydrogen coverages (at 1 bar H 2 on Pt or up to 70 bar H 2 on Rh), when the weakening of the HBE decreases the hydrogen coverage.

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Author

Nirala Singh; Mal-Soon Lee; Sneha A. Akhade; Guanhua Cheng; Donald M. Camaioni; Oliver Y. Gutiérrez; Vassiliki-Alexandra Glezakou; Roger Rousseau; Johannes A. Lercher; Charles T. Campbell

Publisher

American Chemical Society (ACS)

Published

2018

Language

EN

Field

Chemistry (Physical Sciences)