Catalysis informatics is a distinct subfield that lies at the intersection of cheminformatics and
materials informatics but with distinctive challenges arising from the dynamic, surface …

A detailed understanding of reaction mechanisms and kinetics is required in order to
develop and optimize catalysts and catalytic processes. While steady-state investigations …

Data-driven approaches are currently renovating the field of heterogenous catalysis and
open the door to advance catalyst design. Their success depends heavily on the synergy …

Adsorption plays a key role in the volatile organic compound (VOC) photocatalytic oxidation
performance and kinetic behavior. It can lead to VOC mixture sequential treatment or even …

Reactions between alkenes and methanol or dimethyl ether (DME) on zeolite catalysts are
involved in industrial processes that are highly relevant for the transition to renewable …

Understanding the set of elementary steps and kinetics in each reaction is extremely
valuable to make informed decisions about creating the next generation of catalytic …

An experimental approach is described in which well-defined perturbations of the gas feed
into an Ambient Pressure X-ray Photoelectron Spectroscopy (APXPS) cell are fully …

The Temporal Analysis of Products (TAP) technique is a pulse response methodology that
reveals the time-dependent evolution of chemical processes between a gas phase molecule …

Physics-informed neural networks (PINNs) have proven a suitable mathematical scaffold for
solving inverse ordinary (ODE) and partial differential equations (PDE). Typical inverse …

Decoding Complexity of Chemical Reactions1 Page 1 ISSN 0040 5795, Theoretical
Foundations of Chemical Engineering, 2014, Vol. 48, No. 5, pp. 608–613. © Pleiades …