Automatisiertes Mehrzweck-Pulver-Röntgendiffraktometer, Plug-and-Play-Plattformfunktionalität für automatisierte Probenwechsler und non-ambient Messkammern. Copyright: Anton Paar GmbH, www.anton-paar.com

Röntgenanalyselösungen – Unsere Antworten auf jede Herausforderung in Wissenschaft und Industrie

Das TruBeam™-Konzept des XRDynamic 500 kombiniert einen großen Goniometerradius mit einem evakuierten Strahlengang und einem vollautomatischen Wechsel der Röntgenoptik/Strahlgeometrie. Messen Sie eine Vielzahl von Proben mit unterschiedlichen Gerätekonfigurationen und lassen Sie sich von einer intuitiven Software mit optimierten Arbeitsabläufen unterstützen. Erzielen Sie eine erstklassige Auflösung (FWHM < 0,021° für den 1. LaB₆-Standard-Peak) mit einer Standard-Bragg-Brentano-Konfiguration. Profitieren Sie von einem hervorragenden Signal-Rausch-Verhältnis mit bis zu 50 % weniger Messuntergrund und minimaler parasitärer Luftstreuung. Zudem ist ein schnelles Umkonfigurieren für optimierte Hoch- und Tieftemperatur-XRD-Experimente oder SAXS-Messungen mit der Qualität eines dedizierten SAXS-Geräts möglich.

M. Kremer, B. Puhr, A. Jones, Chem. Ing. Tech. 2022, 94 (5), 623–624.

What is required to become a recognized scientist? What are the main career steps? Is there a masterplan? The Nachwuchs Reaktionstechnik (NaWuReT) interviewed international early-career scientists from the chemical engineering community, who successfully mastered the postdoc level and became assistant professors.

The numerical methodologies and speed-up strategies to couple computational fluid dynamics and first-principles chemical kinetics are reviewed in the context of fixed and fluidized catalytic units. These concepts play a pivotal role to enable the multiscale analysis of reactive systems of technological relevance.

The implementation of different process strategies to counter the deactivation of the immobilized enzyme Candida Antarctica Lipase B is studied in an epoxidation reaction. It was shown that with simple adjustments the lifetime of the enzyme and its productivity could be greatly enhanced.

Instabilities in catalytic fixed bed reactors can cause severe safety concerns. In this contribution, instabilities were examined in a downwards directed catalytic fixed bed reactor for the oligomerization of 1-butene to 1-octene with experiments and models of different complexity.

Stable and continuous liquid-liquid-solid flow was implemented in a Taylor-Couette Disc Contactor. Exemplarily the heterogeneously catalyzed esterification of acetic acid with methanol, accelerated with a cation-exchange resin and simultaneous transfer of the product methyl acetate into the solvent ShellSol T, was successfully performed.

An important contribution to the production of CO₂-free hydrogen can be made by methane pyrolysis. In order to protect the reactor wall from carbon deposits, a rotating film reactor is investigated here in more detail theoretically.

Hydrogen production by direct methane pyrolysis in plasma reactor is of large interest nowadays. Plasma reactors allow to use renewable energy, thus, to avoid CO₂ emission, which is inevitable at steam reforming. To simulate such reactor, a combination of different software was used, also the explanation for the step-wise simulation strategy is provided.

A novel holistic technology concept for CO₂ emission-lean iron production through direct reduction of siderite ore with green hydrogen combined with the valorization of the process gas through catalytic CO and CO₂ hydrogenation to methane and methanol is presented.

For high temperature methane chlorination and pyrolysis, mechanisms of methane and methyl chloride pyrolysis are combined with carbon nucleation mechanisms to describe the reaction pathway. In addition, for a global one-step mechanism, the kinetic parameters are fitted to experimental data.

Chemical recycling of plastic is proposed to close the carbon cycle. Catalysts, which have to be regenerated, can help to enhance the yield of desired products and to reduce energy consumption. The present studies reveal dependencies between catalyst design, poisons and reaction conditions in cracking of polyolefinic waste.

Fixed-tube-sheet shell-and-tube heat exchangers (FTHEs) are widely used in process industry to control temperature levels of unit operations. To avoid thermal stress-induced failures, their transient response needs to be analyzed. In this work, a modular-hierarchical model for FTHE dynamics is presented and applied to selected transient operating scenarios.

HNCO is the intermediate species in ammonia delivery from urea-water-solutions for controlling NOx emission of combustion engines by NH₃-SCR. The conversion of HNCO over two commercially applied catalytic materials is studied by axially resolving the spatial profiles in channels of the catalytic monoliths by a capillary technique and FTIR and MS analytics under varying gas compositions.

The performance of potassium borohydride as energy carrier for shipping applications is evaluated on the basis of process simulations in Aspen Plus®. The individual process steps are optimized and storage efficiencies are calculated based on energy balances. An inland-waterway vessel serves as model ship to evaluate the practical feasibility.

The homogenously Rh-catalyzed hydroaminomethylation of 1-decene was investigated in a thermomorphic solvent system (methanol/n-dodecane) with the ligand sulfoxantphos. The influence of temperature, pressure and catalyst concentration was studied experimentally. Simulations based on a simplified kinetic model and experimental data were in good agreement.

Integrated multiscale modeling, as demonstrated here for solid oxide electrochemical cells, provides a valuable guide for experimentalists developing novel materials and devices to rapidly and cheaply upscale their innovative lab-scale technology to commercial-scale systems operating under industrially relevant conditions.

Mechanistic kinetic modeling via three different kinetic approaches is studied and evaluated for the biocatalyzed synthesis of galacto-oligosaccharides, with the mechanistic kinetics approach being a promising method. An information criterion (AIC) is used as tool for comparative description and pro and cons of each approach are shown.

A newly developed DoE and nonlinear regression software tool was applied on a Suzuki-Miyaura cross-coupling reaction. The 93 % reduced experimental design consists of 75 experiments, whose results were visualized by a multidimensional nonlinear regression model. The results show good agreement, which the expected behavior of the reaction.

The sustainable electrochemical route from lignocellulosic bio-acids to liquid fuels and commodities is supplemented with a study of 3D printed microflow reactors as a low skill entrance level technology.

An understanding of the ignition-extinction behavior in catalytic reactions is relevant to develop an autothermal reactor concept. This work analyzes different parameters and the benefits from the heat produced during the oxidative coupling of methane for a potential autothermal operation mode.