Proposed for presentation at the 2020 Virtual AIChE Annual Meeting held November 16-20, 2020 in San Francisco, CA.

Including anharmonicity in adsorbate partition functions and how it affects theoretical parameter estimates for desorption of methanol from a Cu(111) surface.

Pub Date : 2020-11-01 DOI: 10.2172/1831569 Katrin Blondal, K. Sargsyan, D. Bross, E. Hermes, H. Najm, Judit Z�dor, C. Goldsmith

Automatic mechanism generation using RMG linear scaling relationships and sensitivity analyses applied to the catalytic partial oxidation of methane.

Pub Date : 2020-11-01 DOI: 10.2172/1831014 Emily J. Mazeau, Katrin Blondal, Richard D. West