Themed collection Reaction Chemistry & Engineering most-read Q1 2019
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.
Continuous low temperature synthesis of MAPbX3 perovskite nanocrystals in a flow reactor
Perovskite nanocrystals prepared at room temperature using a simple flow reactor.
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.
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.
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.
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.
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.
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.
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.
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.