Chemistry

Thermodynamics of Iron Ammonia Synthesis Catalyst Sintering

Walerian Arabczyk,

Walerian Arabczyk

Institution: Department of Inorganic Chemical Technology and Environment Engineering, Faculty of Chemical Technology and Engineering, West Pomeranian University of Technology in Szczecin, Piastów Ave. 42, 71-065 Szczecin, Poland

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Rafał Pelka,

Rafał Pelka

Institution: Department of Inorganic Chemical Technology and Environment Engineering, Faculty of Chemical Technology and Engineering, West Pomeranian University of Technology in Szczecin, Piastów Ave. 42, 71-065 Szczecin, Poland

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Izabella Jasińska,

Izabella Jasińska

Institution: Grupa Azoty Zakłady Chemiczne “Police” S.A., 1 Kuźnicka Str., 72-010 Police, Poland

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Zofia Lendzion-Bieluń

Zofia Lendzion-Bieluń

Institution: Department of Inorganic Chemical Technology and Environment Engineering, Faculty of Chemical Technology and Engineering, West Pomeranian University of Technology in Szczecin, Piastów Ave. 42, 71-065 Szczecin, Poland

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Key Takeaways

  • Thermodynamic Stability

    - The study presents a model demonstrating the thermodynamic parameters that govern the iron catalyst sintering process, focusing on stability aspects of nanocrystalline structures.

  • Catalyst Activation Mechanisms

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    2 weeks ago

Synthesis of Bisoxazole and Bromo-substituted Aryloxazoles

Sambasivarao Kotha,

Sambasivarao Kotha

Institution: Department of Chemistry, Indian Institute of Technology, Bombay 400076, India

Email:

Subba Rao Cheekatla

Subba Rao Cheekatla

Institution: Department of Chemistry, Indian Institute of Technology, Bombay 400076, India

Email:

Herein, we report a bisoxazole derivative as well as a bromo-substituted oxazole derivatives via a simple approach. The synthesis begins with an inexpensive and readily available starting material, such as 2,5-dimethoxybenzaldehyde, hydroquinone, and p-toluenesulfonylmethyl isocyanide (TosMIC). This approach relies on the Van Leusen oxazole method and electrophilic aromatic bromination. The struct...
3 weeks ago

Applications of Machine Learning to the Study of Crystalline Materials

Hartmut Schlenz,

Hartmut Schlenz

Institution: Forschungszentrum Juelich, Institute of Energy and Climate Research (IEK), IEK-1: Materials Synthesis and Processing, Wilhelm-Johnen-Strasse, D-52425 Juelich, Germany

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Stefan Sandfeld

Stefan Sandfeld

Institution: Forschungszentrum Juelich, Institute of Advanced Simulation—Materials Data Science and Informatics (IAS-9), Wilhelm-Johnen-Strasse, D-52425 Juelich, Germany

Email:

This Special Issue, “Applications of Machine Learning to the Study of Crystalline Materials”, is a collection of seven original articles published in 2021 and 2022 and dedicated to applications of machine learning in materials research [...]...
3 weeks ago

Diazenium Betaines Derived from the Stable Free Radical DPPH with Diradicaloid Behavior

Adela F. Dobre,

Adela F. Dobre

Institution: Department of Inorganic, Organic, Bioorganic and Catalysis, Faculty of Chemistry, University of Bucharest, Panduri 90, 050663 Bucharest, Romania

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Augustin M. Mădălan,

Augustin M. Mădălan

Institution: Department of Inorganic, Organic, Bioorganic and Catalysis, Faculty of Chemistry, University of Bucharest, Panduri 90, 050663 Bucharest, Romania

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Anamaria Hanganu,

Anamaria Hanganu

Institution: Department of Inorganic, Organic, Bioorganic and Catalysis, Faculty of Chemistry, University of Bucharest, Panduri 90, 050663 Bucharest, Romania

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Petre Ionita

Petre Ionita

Institution: Department of Inorganic, Organic, Bioorganic and Catalysis, Faculty of Chemistry, University of Bucharest, Panduri 90, 050663 Bucharest, Romania

Email:

Starting from the well known stable free radical DPPH (or its reduced counterpart, 2,2-diphenyl-1-picryl-hydrazine) and several amino derivatives, novel zwitterionic compounds (diazenium betaines) were obtained and characterized by different means, like NMR, IR, MS, and UV–Vis. These betaines are highly intense blue-colored compounds that can be easily reduced by ascorbic acid (vitamin C) or sod...
3 weeks ago

The Hydrophobic Effects: Our Current Understanding

Qiang Sun

Qiang Sun

Institution: Key Laboratory of Orogenic Belts and Crustal Evolution, Ministry of Education, The School of Earth and Space Sciences, Peking University, Beijing 100871, China

Email:

Hydrophobic interactions are involved in and believed to be the fundamental driving force of many chemical and biological phenomena in aqueous environments. This review focuses on our current understanding on hydrophobic effects. As a solute is embedded into water, the interface appears between solute and water, which mainly affects the structure of interfacial water (the topmost water layer at th...
3 weeks ago

Michaelis–Menten kinetics during dry etching processes

Rimantas Knizikevičius

Rimantas Knizikevičius

Institution:

Email:

The chemical etching of germanium in Br2 environment at elevated temperatures is described by the Michaelis–Menten equation. The validity limit of Michaelis–Menten kinetics is subjected to the detailed analysis. The steady-state etching rate requires synergy of two different process parameters. High purity gas should be directed to the substrate on which intermediate reaction product does not ...
1 month ago

Hydroxyl-stretching region in the Raman broad scans on minerals of the vivianite group

Amelia Carolina Sparavigna

Amelia Carolina Sparavigna

Institution: Polytechnic University of Turin

Email:

Vivianite is a hydrated iron phosphate mineral (Fe3(PO4)2·8H2O), crystallized in a monoclinic system. It is the endmember of a mineral series known as the vivianite group, where minerals have the general formula A3(XO4)2·8H2O, A is a divalent metal cation and X is phosphorus P or arsenic As. Today, vivianite is attracting interest as a promising material for recovering phosphorous from wastewate...
1 month ago

Synthesis and Characterization of Zincoxide Nanoparticles of Average Diameter 10nm in Aqueous Medium

Arpita Biswas

Arpita Biswas

Institution: Department of Chemistry, Shibpur Dinobundhoo Institution (College),

Email: abiswas83@gmail.com

Synthesis of Zincoxide nanoparticles (ZnO NPs) with definite size and shape and their morphological characterization rationally is really a challenging aspect at present due to the ongoing demand of these nanosize particles for their divergent use in different field of science and technology. Reduction of Zinc acetate dihydrate by sodium hydroxide was performed to produce ZnO NPs by follow...
2 years ago

The Microscopic Mechanisms Involved in Superexchange

Jacques Curely

Jacques Curely

Institution: Laboratoire Ondes et Matière d’Aquitaine, UMR 5798, University of Bordeaux,

Email: Jacques.curely@u-bordeaux.fr

:In earlier work, we previously established a formalism that allows to express the exchange energy J vs. fundamental molecular integrals without crystal field, for a fragment A–X–B, where A and B are 3d 1 ions and X is a closed-shell diamagnetic ligand. In this article, we recall this formalism and give a physical interpretation: we may rigorously predict the ferromagnetic (J < 0) or antif...
2 years ago

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