Themed collection Reaction Chemistry & Engineering Open Access Spotlight

38 items
Open Access Minireview

A mini review on aromatization of n-alkanes

The catalytic aromatization of n-alkanes is an important process in the chemical industry, especially for the production of value-added aromatics from the abundant and unreactive small alkanes.

Graphical abstract: A mini review on aromatization of n-alkanes
Open Access Review Article

Physicochemical aspects of solid phase synthesis using cross-linked polymeric matrices

Solid phase synthesis (SPS) offers a bottom-up approach for assembling (bio-)oligomers and polymers with precise molecular detail.

Graphical abstract: Physicochemical aspects of solid phase synthesis using cross-linked polymeric matrices
Open Access Review Article

State-of-the-art heterogeneous polymerization kinetic modelling processes and their applications

Heterogeneous polymerization kinetic model has been widely utilized in different research domains.

Graphical abstract: State-of-the-art heterogeneous polymerization kinetic modelling processes and their applications
Open Access Communication

Electrochemical hydrocarboxylation of styrene with CO2 in continuous flow

CO2 in flow, shockingly effective: a fully continuous-flow system for electrochemical hydrocarboxylation of styrene with CO2 is reported, featuring precise CO2 delivery to minimize waste and cut reaction time to 25 seconds, maintaining high selectivity.

Graphical abstract: Electrochemical hydrocarboxylation of styrene with CO2 in continuous flow
Open Access Communication

Selective transfer hydrogenation of furfural under continuous flow conditions promoted by the recoverable homogeneous Shvo's catalyst

This study presents the first continuous-flow application of the homogeneous Shvo's catalyst for selective transfer hydrogenation of furfural to furfuryl alcohol using 2-methyltetrahydrofuran as bio-based solvent and 2-propanol as H-donor.

Graphical abstract: Selective transfer hydrogenation of furfural under continuous flow conditions promoted by the recoverable homogeneous Shvo's catalyst
Open Access Communication

A modular, reusable biocatalytic flow system for UDP-GlcNAc production

Roberts et al. demonstrate UDP-N-acetyl glucosamine can be produced in a continuous biocatalytic system. Improvements versus batch include simplified downstream processing, 11-fold increase in space time yield and improvement in enzyme lifetime.

Graphical abstract: A modular, reusable biocatalytic flow system for UDP-GlcNAc production
Open Access Communication

Photocatalytic evolution of nitrous oxide from nitric monoxide over Pt-loaded titanium dioxide under UV irradiation

This study presents a photocatalytic evolution of nitrous oxide (N2O) from nitric monoxide (NO), well known as a harmful gas contained in exhaust gas.

Graphical abstract: Photocatalytic evolution of nitrous oxide from nitric monoxide over Pt-loaded titanium dioxide under UV irradiation
Open Access Communication

Self-optimising continuous-flow hydrothermal reactor for nanoparticle synthesis

Schematic of autonomous high-throughput reactor for metal oxide nanoparticle synthesis. ML: machine learning.

Graphical abstract: Self-optimising continuous-flow hydrothermal reactor for nanoparticle synthesis
Open Access Paper

Green chemical precipitation of manganese, cobalt, and nickel from acid mine drainage using ozone: mechanism and chemical kinetics

Recovery of Mn–Co–Ni from acid mine drainage (AMD) via ozone oxidative precipitation.

Graphical abstract: Green chemical precipitation of manganese, cobalt, and nickel from acid mine drainage using ozone: mechanism and chemical kinetics
Open Access Paper

Reaction kinetics for the synthesis of an anti-cancer drug (adavosertib) precursor

The development of kinetic models which can accurately describe drug synthesis reactions is an important part of process design in the pharmaceutical industry.

Graphical abstract: Reaction kinetics for the synthesis of an anti-cancer drug (adavosertib) precursor
Open Access Paper

Unraveling the role of ultrasound in hydrothermal interzeolite conversion using a tubular ultrasound-integrated reactor

Fast FAU-to-MFI interzeolite conversion is performed in a novel tubular ultrasound-integrated reactor under hydrothermal conditions. Ultrasound, via wave propagation, is found to enhance the growth rate and to counteract solid deposition.

Graphical abstract: Unraveling the role of ultrasound in hydrothermal interzeolite conversion using a tubular ultrasound-integrated reactor
Open Access Paper

Quantification of the porosity in template-based ordered porous Ag electrodes and its effect on electrochemical CO2 reduction

Pore size effects in the e-CO2RR were studied using templated Ag. The intrinsic activity to CO increases upon increasing pore size. Quantification of the porosity showed that this is due to a higher tortuosity and additional potential drops.

Graphical abstract: Quantification of the porosity in template-based ordered porous Ag electrodes and its effect on electrochemical CO2 reduction
Open Access Paper

New dispersible and low-melting cellulose ester produced with molten adipic acid as a solvent, reagent and catalyst, and its application to improve the mechanical properties of PLA

This work describes the synthesis and characterization of a novel cellulose ester (CE) derived from microcrystalline cellulose (MCC) and adipic acid. The CE was used as an additive to improve the mechanical properties of PLA.

Graphical abstract: New dispersible and low-melting cellulose ester produced with molten adipic acid as a solvent, reagent and catalyst, and its application to improve the mechanical properties of PLA
Open Access Paper

Simultaneous enzymatic esterification and ester extraction in Pickering emulsions for the recovery of butanol from fermentation broth

Simultaneous esterification and extraction in Pickering emulsion.

Graphical abstract: Simultaneous enzymatic esterification and ester extraction in Pickering emulsions for the recovery of butanol from fermentation broth
Open Access Paper

How the addition of a polar aprotic solvent alters aldol-addition kinetics: exploring the role of solvent molecules and their dynamics

This paper investigates how solvent composition, and dynamics influence the aldol-addition reaction, which is an important reaction in acid-catalyzed biomass transformations.

Graphical abstract: How the addition of a polar aprotic solvent alters aldol-addition kinetics: exploring the role of solvent molecules and their dynamics
Open Access Paper

Efficacy of mechanochemically prepared ceria–zirconia catalysts in ketonisation of acetic acid

Mechanochemically prepared CeO2/ZrO2 catalysts for upgrading VFAs into sustainable aviation fuels.

Graphical abstract: Efficacy of mechanochemically prepared ceria–zirconia catalysts in ketonisation of acetic acid
Open Access Paper

Protonation pattern as a controlling factor of thermal reactions of aryl o-divinylbenzenes in acidic media: an integrated experimental–theoretical study

The thermal transformations of various thienyl and phenyl derivatives of o-divinylbenzene in acidic media were investigated in an integrated experimental–theoretical study.

Graphical abstract: Protonation pattern as a controlling factor of thermal reactions of aryl o-divinylbenzenes in acidic media: an integrated experimental–theoretical study
Open Access Paper

Web-based graphical user interface for visualizing and analyzing chemical reaction networks

A graphical user interface for network visualization and analysis is proposed, integrated within the Catalyst Acquisition by Data Science (CADS) platform to simplify the study of chemical reaction networks.

Graphical abstract: Web-based graphical user interface for visualizing and analyzing chemical reaction networks
Open Access Paper

A proposed industrial scale-up of circular bisphenol-A (BPA) production

The potential process design of the production of BPA from waste polycarbonate demonstrates that circular BPA is possible at an industrial scale. This process has less safety risks and environmental impact than the traditional BPA production process.

Graphical abstract: A proposed industrial scale-up of circular bisphenol-A (BPA) production
Open Access Paper

Role of powders and coatings for relating catalytic activity and structure of Pt in emission control catalysis

The impact of different catalyst shapes (coatings and packed powder beds) on gradients in the gas phase and in the catalyst's chemical state, together with different heating methods were analysed.

Graphical abstract: Role of powders and coatings for relating catalytic activity and structure of Pt in emission control catalysis
Open Access Paper

Amphiphobic surface-active ionic liquids as dynamic micellar phase-transfer catalysts for biphasic epoxidations

Fluorinated surface-active ionic liquids (FSAILs) exhibit low aqueous solubilities yet actively form micelles. With tungstate catalysts, these inert FSAILs become catalytically active for olefin epoxidation using hydrogen peroxide as the oxidant.

Graphical abstract: Amphiphobic surface-active ionic liquids as dynamic micellar phase-transfer catalysts for biphasic epoxidations
Open Access Paper

Gas–liquid flow synthesis of Zn3N2-quantum dots

Continuous process engineering leads production of fine chemicals to a new level of industrialisation.

Graphical abstract: Gas–liquid flow synthesis of Zn3N2-quantum dots
Open Access Paper

Hydride-mediated chemoselective C–H bond formation during benzoic acid hydrodeoxygenation on anatase TiO2

Hydrogenation on reducible oxide surface occurs via reaction of monoanionic ligands with hydrides on O vacancies. DFT-based microkinetic modeling predicts selectivity shift to benzaldehyde as temperature increases during benzoic acid hydrogenation.

Graphical abstract: Hydride-mediated chemoselective C–H bond formation during benzoic acid hydrodeoxygenation on anatase TiO2
Open Access Paper

Enantioselective synthesis of (R)-citronellal from geraniol with an immobilised copper alcohol oxidase and ene reductase

A copper alcohol oxidase CRO and ene reductase OYE2 with glucose dehydrogenase GDH, immobilised by metal affinity, enable the conversion of geraniol to (R)-citronellal in a one-pot concurrent cascade.

Graphical abstract: Enantioselective synthesis of (R)-citronellal from geraniol with an immobilised copper alcohol oxidase and ene reductase
Open Access Paper

Direct aminolysis of methyl esters with ammonia in continuous flow through Bayesian optimization

Continuous flow technology is explored as a process-intensification approach for the direct amidation of methyl esters to produce primary amides.

Graphical abstract: Direct aminolysis of methyl esters with ammonia in continuous flow through Bayesian optimization
Open Access Paper

Formation of the E-isomer as an impurity in the optimized flow synthesis of a Z-α-thio-β-chloroacrylamide; E/Z photoisomerization in batch and flow, and solid state characterization of both isomers

The Z/E isomers of N-(4-methylphenyl)-3-chloro-2-(phenylthio)propenamide, the Z isomer being a valuable synthetic substrate, were photo-interconverted both in batch and in flow, and the detailed crystal chemistry of both isolated solids elucidated.

Graphical abstract: Formation of the E-isomer as an impurity in the optimized flow synthesis of a Z-α-thio-β-chloroacrylamide; E/Z photoisomerization in batch and flow, and solid state characterization of both isomers
Open Access Paper

Reactor intensification on glycerol-to-acrylic acid conversion: a modelling study

This work presents a numerical analysis for glycerol dehydration & acrolein oxidation to produce acrylic acid combining computational fluid dynamics (CFD) with response surface methodology (RSM) techniques.

Graphical abstract: Reactor intensification on glycerol-to-acrylic acid conversion: a modelling study
Open Access Paper

Numerical modelling of non-premixed hydrogen blended combustion in a 3D-combustor with jet optimisation

The use of modular combustion systems with multiple jets is an efficient and reliable solution for combined heat and power applications in the transition to clean and renewable energy for power generation in addressing climate change challenges.

Graphical abstract: Numerical modelling of non-premixed hydrogen blended combustion in a 3D-combustor with jet optimisation
Open Access Paper

Crystallization-integrated mandelate racemase-catalyzed dynamic kinetic resolution of racemic mandelic acid

This study shows the potential of a combination of classic diastereomeric salt crystallization with enzymatic racemization yielding an efficient chemoenzymatic pathway for dynamic kinetic resolution of mandelic acid in aqueous media.

Graphical abstract: Crystallization-integrated mandelate racemase-catalyzed dynamic kinetic resolution of racemic mandelic acid
Open Access Paper

Fast and scalable continuous flow synthesis of butenolides and coumarins

A unified platform that improves safety and efficiency in producing diverse libraries of compounds and have the potential to speed up the drug discovery process in medicinal chemistry.

Graphical abstract: Fast and scalable continuous flow synthesis of butenolides and coumarins
Open Access Paper

Intrinsic microkinetic effects of spray-drying and SiC co-support on Mn–Na2WO4/SiO2 catalysts used in oxidative coupling of methane

This paper presents a microkinetic model to evaluate the effects of a silicon carbide (SiC) co-support and the shaping method on Mn–Na2WO4/SiO2 catalysts used for the oxidative coupling of methane.

Graphical abstract: Intrinsic microkinetic effects of spray-drying and SiC co-support on Mn–Na2WO4/SiO2 catalysts used in oxidative coupling of methane
Open Access Paper

Residence time distribution effects on continuous-flow reaction in a polymer gel-based porous monolith: investigation of an asymmetric reaction with supported Hayashi–Jørgensen catalysts

Polymer gel porous monoliths with Hayashi–Jørgensen catalyst are developed for flow asymmetric reactions. Lower cross-linked gel monoliths showed narrow residence time distribution and fast molecular diffusion for high catalytic performance.

Graphical abstract: Residence time distribution effects on continuous-flow reaction in a polymer gel-based porous monolith: investigation of an asymmetric reaction with supported Hayashi–Jørgensen catalysts
Open Access Paper

The “factory in a lab”: telescoping the Matteson and Matteson–Hoppe–Aggarwal boronate chemistry under flow conditions

The Matteson reaction and the related Matteson–Hoppe–Aggarwal variant were combined in a compartmentalized flow system and the doubly homologated resulting boronate was transformed into the corresponding alcohols after terminal oxidation.

Graphical abstract: The “factory in a lab”: telescoping the Matteson and Matteson–Hoppe–Aggarwal boronate chemistry under flow conditions
Open Access Paper

Identifying the ideal thermodynamics of non-stoichiometric oxygen-carrier materials for chemical looping water-gas shift

As temperature and heat content matching is important in heat exchange, chemical potential and capacity matching is key to chemical looping processes.

Graphical abstract: Identifying the ideal thermodynamics of non-stoichiometric oxygen-carrier materials for chemical looping water-gas shift
Open Access Paper

Flat-plate mesophotoreactor with a serpentine channel and inclined baffles for balancing mixing performance and reaction throughput

Introducing baffles in the curved channels of serpentine mesoreactors can effectively enhance mixing, resulting in the reaction yields comparable to microreactors, while also achieving a significant increase in reaction throughput.

Graphical abstract: Flat-plate mesophotoreactor with a serpentine channel and inclined baffles for balancing mixing performance and reaction throughput
Open Access Paper

Interaction of light with gas–liquid interfaces: influence on photon absorption in continuous-flow photoreactors

Light interacts with gas–liquid interfaces, yet photon absorption losses in a capillary and high-shear reactor are minimal. Reflection, refraction and scattering extend the optical path length, enhancing photon absorption when bubbles are small.

Graphical abstract: Interaction of light with gas–liquid interfaces: influence on photon absorption in continuous-flow photoreactors
Open Access Paper

Dehydration of xylose to furfural in a biphasic system: catalyst selection and kinetic modelling discrimination

A kinetic model for the biphasic production of furfural from xylose is presented after discrimination.

Graphical abstract: Dehydration of xylose to furfural in a biphasic system: catalyst selection and kinetic modelling discrimination
Open Access Paper

Investigation of Ni-catalyzed hydropyrolysis of hemicellulose via ReaxFF-MD simulation

The hydropyrolysis mechanism with and without Ni catalysts of xylan was investigated via molecular dynamics simulations based on the ReaxFF force field.

Graphical abstract: Investigation of Ni-catalyzed hydropyrolysis of hemicellulose via ReaxFF-MD simulation
38 items

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