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Themed collection Reaction Chemistry & Engineering most-read Q1 2019

10 items
Review Article

Metal-based heterogeneous electrocatalysts for reduction of carbon dioxide and nitrogen: mechanisms, recent advances and perspective

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.

Graphical abstract: Metal-based heterogeneous electrocatalysts for reduction of carbon dioxide and nitrogen: mechanisms, recent advances and perspective
Open Access Communication

Continuous low temperature synthesis of MAPbX3 perovskite nanocrystals in a flow reactor

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

Graphical abstract: Continuous low temperature synthesis of MAPbX3 perovskite nanocrystals in a flow reactor
Open Access Communication

Integrated plug flow synthesis and crystallisation of pyrazinamide

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

Graphical abstract: Integrated plug flow synthesis and crystallisation of pyrazinamide
Open Access Paper

Continuous flow synthesis of a pharmaceutical intermediate: a computational fluid dynamics approach

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

Graphical abstract: Continuous flow synthesis of a pharmaceutical intermediate: a computational fluid dynamics approach
Open Access Paper

Detailed kinetics of substituted phenolic species in pyrolysis bio-oils

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

Graphical abstract: Detailed kinetics of substituted phenolic species in pyrolysis bio-oils
Open Access Paper

Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation

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

Graphical abstract: Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation
Paper

Enhancing selectivity and efficiency in the electrochemical synthesis of adiponitrile

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.

Graphical abstract: Enhancing selectivity and efficiency in the electrochemical synthesis of adiponitrile
Open Access Paper

Continuous-flow liquid-phase dehydrogenation of 1,4-cyclohexanedione in a structured multichannel reactor

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.

Graphical abstract: Continuous-flow liquid-phase dehydrogenation of 1,4-cyclohexanedione in a structured multichannel reactor
Open Access Paper

Coupling CFD–DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems

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

Graphical abstract: Coupling CFD–DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems
Open Access Paper

Optimum catalyst selection over continuous and discrete process variables with a single droplet microfluidic reaction platform

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.

Graphical abstract: Optimum catalyst selection over continuous and discrete process variables with a single droplet microfluidic reaction platform
10 items

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From Reaction Chemistry & Engineering

Showcasing the top ten most-read articles in Reaction Chemistry & Engineering during January–March 2019

Find previous most-read collections on the Reaction Chemistry & Engineering blog 

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