ICIQ research on heterogeneous catalysis published in Nature Chemistry

An almost one-century-old standing controversy on the origin and the nature of compensation in heterogeneous catalysis has been solved by an interdisciplinary group formed by scientist from FHI (Berlin, Germany), ETH (Zürich, Switzerland) and ICIQ (Tarragona, Spain).

Surface Configurational Entropy terms were found to be the missing key that explains why higher prefactors are observed when higher apparent activation energies are found (Compensation).
By employing DFT and massive microkinetic models (“such an odyssey” as it was underlined by one of the journal’s Reviewers) it was possible to explain this phenomena.
The published work concentrates on the Deacon process, one of the new ways to generate green Cl2 by recycling HCl in the chemistry plants thus reducing energy consumption and waste.
It was supported by Bayer Materials Science and calculations were performed at the Barcelona Supercomputer Center (BSC).???
Did you know that…??

– Arrhenius equation has been even found to control things such as Cherry blossom front ?(we don’t know if there is also compensation in this phenomenom)??

– Compensation phenomena exist for a wide range of processes such as:?Catalysis, diffusion, electric conduction and dielectric relaxations?

Erika Cremer who reported compensation in the form of Constable-Cremer plots (lnAapp vs Eapp) was the mother of chromatography and one of the first women to have a degree Physical Chemistry (1927)?

Boltzmann described entropy as a measure of disorder and his equation S=k log W is written in his grave?

The Deacon process was described early in 1850?

– Cl2 has multiple uses in the chemical industry and its production via electrochemical processes accounts for 1% of the electric consumption in Germany?

Reference:

In situ surface coverage analysis of RuO2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis

Detre Teschner, Gerard Novell-Leruth, Ramzi Farra, Axel Knop-Gericke, Robert Schlögl, László Szentmiklósi, Miguel González Hevia, Hary Soerijanto, Reinhard Schomäcker, Javier Pérez-Ramírez & Núria López
Nature Chemistry (2012) doi:10.1038/nchem.1411

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