Themed collection Reaction Chemistry & Engineering most-read Q1 2019

Recent progress in the development of metal-based heterogeneous electrocatalysts which have been used in the electrochemical reduction of carbon dioxide and nitrogen with superior performance is comprehensively and critically reviewed.

Perovskite nanocrystals prepared at room temperature using a simple flow reactor.

Pure pyrazinamide has been produced in a coupled flow synthesis and crystallisation in high yield, pure polymorphic form (γ) and narrow particle size distribution.

Computational fluid dynamic and experimental approaches have been compared in the prediction of reaction performance in the preparation of a pharmaceutical intermediate.

A comprehensive kinetic model for the pyrolysis and combustion of substituted phenolic species, key components of fast pyrolysis bio-oils.

Large scale quantum mechanical simulation systematically reveals length scales over which electronically driven interactions occur at enzyme active sites.

The electrochemical production of Adiponitrile (ADN) is a critical step in the manufacture of Nylon 6,6. This study provides a thorough understanding of the factors affecting this process, leading to design guidelines that help maximize selectivity, ADN production rate, and energy productivity of the system.

A highly selective continuous-flow process is developed for liquid-phase dehydrogenation to produce a high yield of hydroquinone in a millimetre-scale structured multichannel reactor.

A numerical framework is proposed to couple detailed microkinetic modeling and CFD–DEM for the simulation of gas–solid fluidized systems.

A mixed-integer nonlinear program (MINLP) algorithm to optimize catalyst turnover number (TON) and product yield by simultaneously modulating discrete variables—catalyst types—and continuous variables—temperature, residence time, and catalyst loading—was implemented and validated.