Gathmann, Sallye RArdagh, M AlexanderDauenhauer, Paul J2021-08-142021-08-142021-08-14https://hdl.handle.net/11299/223076This repository contains: 1. Data tables corresponding to figures 4 - 10 in the manuscript 2. Matlab code to simulate (1) static volcano, (2) dynamic CSTR, (3) dynamic batch reactor 3. Archival versions of data tables corresponding to figures 4 - 10Catalysts that change with time via programmed variation of their electronic occupation to accelerate surface reactions were evaluated in the case of negative adsorption energy scaling relations. Defined as the relative change in adsorption enthalpy, the gamma linear scaling parameter is negative when two adsorbates alternatively weaken and strengthen as catalysts are electronically perturbed. Simulations were conducted of a single transition state connecting two generic adsorbates representative of multiple reaction classes to understand the resulting negative gamma catalytic ratchet mechanism and its ability to accelerate catalytic reactions above the Sabatier peak and away from equilibrium. Relative to conventional positive gamma catalytic ratchets, the Sabatier volcanoes of negative gamma catalysis are narrower with greater enhancement of dynamic turnover frequency when catalysts are electronically oscillated. Promotion of the catalytic surface reaction forwards or backwards was predictable by a descriptor accounting for the relative rates of forward and reverse kinetics under oscillatory conditions.Attribution-NonCommercial-NoDerivs 3.0 United Stateshttp://creativecommons.org/licenses/by-nc-nd/3.0/us/energycatalysisstoragedynamicsDatasethttps://doi.org/10.13020/vwy0-gs56