Themed collection In Celebration of Klavs Jensen’s 70th Birthday

32 items
Review Article

Immobilization of enzymes on polymers with upper critical solution temperature: promising engineering of enzymes for biocatalysis

A review of the developments in biocatalysis using upper critical solution temperature (UCST)-type polymer-immobilized enzymes.

Graphical abstract: Immobilization of enzymes on polymers with upper critical solution temperature: promising engineering of enzymes for biocatalysis
Open Access Review Article

The role of PAT in the development of telescoped continuous flow processes

This review highlights the advantages of incorporating Process Analytical Technologies into continuous flow processes, especially in the context of telescoped multistep flow sequences.

Graphical abstract: The role of PAT in the development of telescoped continuous flow processes
Review Article

Biomass-based graphene aerogel for the removal of emerging pollutants from wastewater

This review article provides a detailed overview of the synthesis techniques of biomass-based graphene aerogels and highlights the influence of fabrication parameters on the performance of the resulting aerogels for wastewater treatment applications.

Graphical abstract: Biomass-based graphene aerogel for the removal of emerging pollutants from wastewater
Open Access Communication

Digital Pareto-front mapping of homogeneous catalytic reactions

We present a digital framework for rapid multi-objective reaction space exploration and optimization of homogeneous catalytic reactions through autonomous experimentation and Bayesian optimization.

Graphical abstract: Digital Pareto-front mapping of homogeneous catalytic reactions
Communication

Design and evaluation of a microrectification platform using 3D printing

We present a microrectification platform to separate binary mixtures using 3D printed structures for enhanced mass transfer. Our approach (experiment and simulation) offers an effective solution for separation of liquids with close boiling points.

Graphical abstract: Design and evaluation of a microrectification platform using 3D printing
Open Access Paper

Open-source 3D printed reactors for reproducible batch and continuous-flow photon-induced chemistry: design and characterization

From screening conditions in batch to scaling up in continuous flow, we offer photochemical systems tailored to your needs. Simply download the files and start printing!

Graphical abstract: Open-source 3D printed reactors for reproducible batch and continuous-flow photon-induced chemistry: design and characterization
Paper

Development of a continuous melt reactor for an acid-mediated decarboxylation

Solvent free minimizes difficult to purge impurity continuous flow via stacked plate reactor.

Graphical abstract: Development of a continuous melt reactor for an acid-mediated decarboxylation
Paper

Methane partial oxidation under periodic reaction conditions on Pt/Al2O3

Exploring the impact of periodic reaction conditions on hydrogen production in methane partial oxidation on Pt/Al2O3 catalyst.

Graphical abstract: Methane partial oxidation under periodic reaction conditions on Pt/Al2O3
Open Access Paper

A machine learning based approach to reaction rate estimation

Development of a machine learning algorithm for automatically training subgraph isomorphic decision trees (SIDT) to predict reaction rate coefficients.

Graphical abstract: A machine learning based approach to reaction rate estimation
Open Access Paper

Machine learning for revealing the relationship between the process–structure–properties of polypropylene in-reactor alloys

Polypropylene reactor alloys with distinct structures were synthesized, and machine learning models were developed to reveal the relationship between the process–structure–properties and optimize process conditions.

Graphical abstract: Machine learning for revealing the relationship between the process–structure–properties of polypropylene in-reactor alloys
Paper

Accelerating reaction optimization through data-rich experimentation and machine-assisted process development

The acceleration of drug substance process development is realized by employing data-rich experimentation, optimization algorithms, and data-driven modeling techniques.

Graphical abstract: Accelerating reaction optimization through data-rich experimentation and machine-assisted process development
Paper

Design of microcombustor–thermoelectric coupled device using a CFD-based multiphysics model for power generation

A combustion-based thermoelectric generator was optimized to yield ∼6 W of power from a single refuellable device, apt for mission-critical and niche applications.

Graphical abstract: Design of microcombustor–thermoelectric coupled device using a CFD-based multiphysics model for power generation
Open Access Paper

Parameter investigation of an organic–inorganic hybrid resin for a 3D-printed microchannel heat exchanger

This study can act as a guideline for printing high-performance heat exchangers using diverse 3D printing technology for resin formulation.

Graphical abstract: Parameter investigation of an organic–inorganic hybrid resin for a 3D-printed microchannel heat exchanger
Open Access Paper

Continuous synthesis of ruthenium nanoparticles with tuneable sizes using ruthenium nitrosyl nitrate precursor

Continuous synthesis of ruthenium nanoparticles with controllable sizes between 2–4 nm in the absence of organic capping ligands.

Graphical abstract: Continuous synthesis of ruthenium nanoparticles with tuneable sizes using ruthenium nitrosyl nitrate precursor
Open Access Paper

Microkinetic modeling of the homogeneous thermal oligomerization of ethylene to liquid fuel-range hydrocarbons

Microkinetic model quantitatively captures conditions under which thermal oligomerization of ethylene leads to broad product distribution of linear alkenes with both even and odd carbon numbers.

Graphical abstract: Microkinetic modeling of the homogeneous thermal oligomerization of ethylene to liquid fuel-range hydrocarbons
Open Access Paper

Methane steam reforming over Ni/YSZ cermet anode materials synthesized by different methods

Ni/YSZ is a benchmark material for solid oxide fuel cells (SOFCs) but suffers from both Ni agglomeration and carbon deposition when hydrocarbons are used as fuels. Sol–gel-prepared catalysts offer superior activities.

Graphical abstract: Methane steam reforming over Ni/YSZ cermet anode materials synthesized by different methods
Open Access Paper

Quantification of extracrystalline acid sites in MFI zeolites after post-synthetic passivation treatments using mesitylene benzylation kinetics

Mesitylene benzylation kinetics enable quantification of dilute amounts of external H+ sites in surface passivated MFI zeolites that are not assessable by conventional spectroscopic or titrimetric techniques.

Graphical abstract: Quantification of extracrystalline acid sites in MFI zeolites after post-synthetic passivation treatments using mesitylene benzylation kinetics
Paper

On a seamlessly replicable circular photoreactor for lab-scale continuous flow applications

A low-cost, user-friendly circular photoreactor is designed via 3D printing and off-the-shelf electronics. It enables experimentation across wavelengths and scales from micro to multigram for the production of libraries.

Graphical abstract: On a seamlessly replicable circular photoreactor for lab-scale continuous flow applications
Paper

Scaling-up continuous production of mesoporous silica particles at kg scale: design & operational strategies

This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique.

Graphical abstract: Scaling-up continuous production of mesoporous silica particles at kg scale: design & operational strategies
Paper

From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane

In the oxidative dehydrogenation of propane over boron nitride, propylene selectivity is lost due to unselective gas-phase chemistry.

Graphical abstract: From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane
Paper

Interaction of SO2 with a Cu–Mn oxide oxygen carrier during chemical looping with oxygen uncoupling

During chemical looping combustion with oxygen uncoupling (CLOU) fuel-sulfur species impact the reactivity of Cu–Mn oxide oxygen carrier with CH4. SO2 oxidation to SO3 competes with fuel for available O2 and lowers CH4 conversion.

Graphical abstract: Interaction of SO2 with a Cu–Mn oxide oxygen carrier during chemical looping with oxygen uncoupling
Paper

Understanding the effects of forced and bubble-induced convection in transport-limited organic electrosynthesis

Insights from data-driven surrogate models reveal that the Sherwood number characterizes mass transport conditions independent of the convection method, offering design guidelines for scaling up organic electrosynthesis.

Graphical abstract: Understanding the effects of forced and bubble-induced convection in transport-limited organic electrosynthesis
Paper

TiO2 nanopowder and nanofilm catalysts in the disinfection and mineralization of S. aureus with solar-simulated radiation

TiO2 films photo-catalyze S. aureus rupture and mineralization of resulting organic materials.

Graphical abstract: TiO2 nanopowder and nanofilm catalysts in the disinfection and mineralization of S. aureus with solar-simulated radiation
Open Access Paper

Mass transport effects in gas-phase selective hydrogenation of 1,3-butadiene over supported Pd

The performance of selective hydrogenation reactions is affected by mass transfer limitations, induced by higher local metal loading and larger catalyst grain size.

Graphical abstract: Mass transport effects in gas-phase selective hydrogenation of 1,3-butadiene over supported Pd
Open Access Paper

Performance of a helical insert in a commercial tubing as a passive micromixer to produce nanoparticles using an emulsification approach

This work highlights novel helical inserts as micromixers with interesting features: straightforward to adapt to a conventional tubing, high mixing efficiency and complete regeneration in the case of fouling as it can be disassembled from the tubing.

Graphical abstract: Performance of a helical insert in a commercial tubing as a passive micromixer to produce nanoparticles using an emulsification approach
Open Access Paper

A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics

An automated flow chemistry platform was designed to collect data for a lithium-halogen exchange reaction. The data was used to train a Bayesian multi-objective optimization algorithm to optimize the process parameters and build process knowledge.

Graphical abstract: A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics
Paper

Microfluidic localized hydrogel polymerization enables simultaneous recording of neural activity and behavior in C. elegans

A new microfluidic tool, using hydrogel photopolymerization, was developed to selectively immobilize the head region of C. elegans for simultaneous recording of its neuronal activity and tail movement.

Graphical abstract: Microfluidic localized hydrogel polymerization enables simultaneous recording of neural activity and behavior in C. elegans
Open Access Paper

Automated multistep synthesis of 2-pyrazolines in continuous flow

The synthesis of 2-pyrazolines from aldehydes via cycloaddition of unstabilised diazo species and alkenes is reported, including automated library generation and graphical interface for reaction control.

Graphical abstract: Automated multistep synthesis of 2-pyrazolines in continuous flow
Open Access Paper

Rapid investigation of the effect of binary and ternary solvent gradient mixtures on reaction outcomes using a continuous flow system

A flow technique for rapid investigation of the effects of solvents mixtures on organic transformations was developed. Reaction information against a full range of binary or ternary solvent mixture composition was obtained in a time efficient manner.

Graphical abstract: Rapid investigation of the effect of binary and ternary solvent gradient mixtures on reaction outcomes using a continuous flow system
Open Access Paper

Dynamic experiments in flow accelerate reaction network definition in a complex hydrogenation using catalytic static mixers

The combination of transient flow experiments with process analytical technology (PAT) enables the rapid characterization and kinetic modelling of a complex ketone hydrogenation, catalyzed by catalytic static mixers (CSMs).

Graphical abstract: Dynamic experiments in flow accelerate reaction network definition in a complex hydrogenation using catalytic static mixers
Paper

LearnCK: mass conserving neural network reduction of chemistry and species of microkinetic models

A Python-TensorFlow tool that learns chemical kinetics (LearnCK) for systematic and automatic reduction of microkinetic models using artificial neural networks (NNs).

Graphical abstract: LearnCK: mass conserving neural network reduction of chemistry and species of microkinetic models
Open Access Paper

Process intensification of continuous-flow seATRP by a sonicated multi-reactor setup

A sonicated electrochemical multi-reactor setup is demonstrated for continuous-flow seATRP.

Graphical abstract: Process intensification of continuous-flow seATRP by a sonicated multi-reactor setup
32 items

About this collection

In recognition of Professor Jensen’s broad and seminal contributions to multiple fields at the interface between reaction chemistry and engineering, this special will cover the following topics - chemical reaction engineering, (electronic) materials processing, catalysis, flow chemistry and microchemical systems, microfluidics, automation and the application of data science/machine learning in the chemical sciences.


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