OPEN Repository

Welcome to OPEN - the Repository of Open Scientific Publications, run by the Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, previously operating as the CeON Repository. The Repository enables Polish researchers from all fields to openly share their articles, books, conference materials, reports, doctoral theses, and other scientific texts.

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MgO Modified by X2, HX, or Alkyl Halide (X = Cl, Br, or I) Catalytic Systems and Their Activity in Chemoselective Transfer Hydrogenation of Acrolein into Allyl Alcohol
(MDPI, 2024-07-03) Gliński, Marek; Ulkowska, Urszula; Kaszkur, Zbigniew; Łomot, Dariusz; Winiarek, Piotr; Nacci, Angelo; Faculty of Chemistry, Warsaw University of Technology, Warsaw, Poland; Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland
A new type of catalyst containing magnesium oxide modified with various modifiers ranging from bromine and iodine, to interhalogen compounds, hydrohalogenic acids, and alkyl halides have been prepared using chemical vapor deposition (CVD) and wet impregnation methods. The obtained systems were characterized using a number of methods: determination of the concentration of X− ions, surface area determination, powder X‐ray diffraction (PXRD), surface acid–base strength measurements, TPD of probe molecules (acetonitrile, pivalonitrile, triethylamine, and n‐butylamine), TPD‐MS of reaction products of methyl iodide with MgO, and Fourier transform infrared spectroscopy (FTIR). The catalysts’ activity and chemoselectivity during transfer hydrogenation from ethanol to acrolein to allyl alcohol was measured. A significant increase in the activity of modified MgO (up to 80% conversion) in the transfer hydrogenation of acrolein was found, while maintaining high chemoselectivity (>90%) to allyl alcohol. As a general conclusion, it was shown that the modification of MgO results in the suppression of strong basic sites of the oxide, with a simultaneous appearance of Brønsted acidic sites on its surface. Independently, extensive research on the reaction progress of thirty alkyl halides with MgO was also performed in order to determine its ability to neutralize chlorinated wastes.
Recovery of Pure Lead-Tin Alloy from Recycling Spent Lead-Acid Batteries
(MDPI, 2023-08-28) Malecha, Daniel; Małecki, Stanisław; Jarosz, Piotr; Kowalik, Remigiusz; Żabiński, Piotr; AGH University of Krakow; Baterpol SA
Spent lead–acid batteries have become the primary raw material for global lead production. In the current lead refining process, the tin oxidizes to slag, making its recovery problematic and expensive. This paper aims to present an innovative method for the fire refining of lead, which enables the retention of tin contained in lead from recycled lead–acid batteries. The proposed method uses aluminium scrap to remove impurities from the lead, virtually leaving all of the tin in it. The results of the conducted experiments indicate the high efficiency of the proposed method, which obtained a pure Pb-Sn alloy. This alloy is an ideal base material for the production of battery grids. This research was carried out on an industrial scale, which confirms the possibility of facile implementation of the method in almost every lead–acid battery recycling plant in the world.
The Influence of Ligands on the Pd-Catalyzed Diarylation of Vinyl Esters
(MDPI, 2024) Brodzka, Anna; Koszelewski, Dominik; Trzeciak, Anna; Ruzik, Lena; Grela, Malgorzata; Ostaszewski, Ryszard; Institute of Organic Chemistry, Polish Academy of Sciences; Faculty of Chemistry, University of Wrocław; Faculty of Chemistry, Warsaw University of Technology
The impact of ligands on the palladium-catalyzed 1,2-diarylation reaction course is presented. The application of Pd-dmpzc as a catalyst provides an efficient, chemoselective and sustainable protocol for the synthesis of valuable 1,2-diphenylethyl acetates. The reaction is conducted in water under mild conditions. Reaction products can be easily separated from the reaction mixture and catalyst by simple extraction. What is more, the rational choice of catalyst significantly reduces the leaching of the metal into the product and its contamination (0.1 ppm). Efficient phase separation and ultralow Pd leaching enable the reuse of the water medium containing the Pd-dmpzc catalyst several times without a significant loss of activity and with even higher selectivity (from 95% to 100% in the third cycle). The recyclability of both the catalyst and the reaction medium together with high chemoselectivity and low palladium leaching reduces the amount of waste and the cost of the process, exhibiting an example of a sustainable and green methodology.
Sonocatalytic Activity of Porous Carbonaceous Materials for the Selective Oxidation of 4-Hydroxy-3,5-dimethoxybenzyl Alcohol
(MDPI, 2024-03-23) Hashemi Hosseini, Behdokht; Oliveira, Rafael L.; Łomot, Dariusz; Chernyayeva, Olga; Colmenares Quintero, Juan C.; Wang, Nannan; Institute of Physical Chemistry, Polish Academy of Sciences; Institute of Low Temperature and Research Structure, Polish Academy of Sciences, Wrocław, Poland; Chemistry Department, Federal University of Pernambuco, Recife 50740-560, Brazil
Selective oxidation, which is crucial in diverse chemical industries, transforms harmful chemicals into valuable compounds. Heterogeneous sonocatalysis, an emerging sustainable approach, urges in-depth exploration. In this work, we investigated N-doped or non-doped carbonaceous materials as alternatives to scarce, economically sensitive metal-based catalysts. Having synthesized diverse carbons using a hard-template technique, we subjected them to sonication at frequencies of 22, 100, 500, and 800 kHz with a 50% amplitude. Sonochemical reaction catalytic tests considerably in-creased the catalytic activity of C-meso (non-doped mesoporous carbon material ). The scavenger test showed a radical formation when this catalyst was used. N-doped carbons did not show adequate and consistent sonoactivity for the selective oxidation of 4-Hydroxy-3,5 di-methoxybenzyl alcohol in comparison with control conditions without sonication, which might be associated with an acid–base interaction between the catalysts and the substrate and sonoactivity prohibition by piridinic nitrogen in N-doped catalysts.
Insight into Structural and Physicochemical Properties of ZrO2-SiO2 Monolithic Catalysts with Hierarchical Pore Structure: Effect of Zirconium Precursor
(MDPI, 2023-12-16) Maresz, Katarzyna; Ciemięga, Agnieszka; Bezkosty, Patryk; Kornaus, Kamil; Sitarz, Maciej; Krzywiecki, Maciej; Mrowiec-Białoń, Julita; Institute of Chemical Engineering, Polish Academy of Sciences; Faculty of Materials Science and Ceramics, AGH University of Science and Technology; Institute of Physics, CSE, Silesian University of Technology
Zirconia–silica monolithic catalysts with hierarchical micro/macroporous structure were obtained in a sol-gel process combined with phase separation using inorganic salts, i.e., oxychloride, oxynitrate and sulphate, as a zirconium source. It was found that the use of zirconium oxychloride and prehydrolysis of tetraethoxysilane (TEOS) resulted in materials characterized by a well-developed continuous structure of macropores with a diameter of ca. 10 μm. For zirconium oxynitrate and sulfate modified materials, the prehydrolysis hardly affected the macropore size. The micropores with a diameter of 1.5 nm in the skeleton of all materials provided a large surface area of 550–590 m2/g. A high dispersion of zirconia in the silica skeleton in all studied materials was shown. However, the largest surface concentration of Lewis and Brönsted acid sites was found in the monolith synthesized with zirconium oxychloride. The monoliths were used as a core for continuous-flow microreactors and high catalytic activity was confirmed in the deacetalization of benzylaldehyde dimethyl acetal. The process was characterized by a high efficiency at low temperature, i.e., 35 ◦C.