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2024

Archives Journal Chemical Bulletin Vol. 7

Electrophilic-nucleophilic and hydrophobic properties of surface-modified metals

https://doi.org/10.58224/2619-0575-2024-7-2-13-25
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 13-25 p.
Abstract
The method of layering different-sized molecules of ammonium and organosilicon compounds on metals, developed at the St. Petersburg Mining University, is a promising method for hydrophobization and stabilization of the surface properties of dispersed metal materials. A comparison was made of the hydrophobicity of samples based on PMS-1 copper powder processed in pairs of modifiers in mixed or sequential modes. To provide a physicochemical substantiation of the mechanism of surface hydrophobization, quantum chemical modeling and assessment of the electrophilic-nucleophilic properties of isolated modifier molecules in the HyperChem software package, as well as their adsorption interaction with a cluster model surface in the Gaussian 09 software package, were carried out. It was established that the adsorption energy values lie in range 64–127 kJ/mol, which corresponds to the chemical interaction of ethylhydride siloxane molecules and quaternary ammonium compounds (QAC) with the metal. It has been established that samples containing modifiers with different electrophilic-nucleophilic properties in the surface layer of the metal are characterized by better hydrophobicity. Also, the key role of QAC in the hydrophobization of the surface has been established by providing a stronger heteroatomic interaction with the metal surface and the formation of a preparatory QAC sublayer for structurally similar functional groups.
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Study of sorption properties of silicon dioxide based on overburden rocks for the extraction of dyes from wastewaters

https://doi.org/10.58224/2619-0575-2024-7-2-26-42
 26-42 p.
Abstract
The article presents the results of a study of the sorption properties of silicon dioxide obtained from overburden rocks for use in the removal of methylene blue, an organic cationic thizian dye, from aqueous solutions. The aim of the study was to evaluate the sorption properties of silica and its efficiency in the removal of methylene blue from aqueous solutions. Experimental data showed that the sorption efficiency depends on temperature, pH and stirring speed. It was found that increasing pH and stirring speed promotes sorption enhancement, while increasing temperature decreases sorption efficiency. In addition, the possibility of regeneration of silica after sorption was investigated and it was shown that its sorption properties are practically unchanged after several cycles of use. The maximum sorption capacity was 515.9 μmol/g. In a previously published paper, under standard conditions, the maximum sorption capacity was 438.22 μmol/g. The results emphasize the potential of silica as an effective and sustainable sorbent for the removal of organic dyes from wastewater. Thus, silica can be recommended for multiple use in wastewater treatment processes due to its high thermal stability and durability.
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Optimization of a typical condensation process using the example of isophorone synthesis in a microchannel

https://doi.org/10.58224/2619-0575-2024-7-2-43-52
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 43-52 p.
Abstract
The work is devoted to the method of obtaining isophorone in a microchannel. Numerical and experimental optimization of the process of obtaining isophorone in a microchannel has been carried out. Isophorone is an unsaturated cyclic ketone, widely used in industry as a solvent for nitrocellulose paints, as well as as an inter-mediate for the synthesis of other compounds. The synthesis was carried out in microchannels. Microchannels are channels with a diameter of less than 1 mm. Their main feature is the possibility of carrying out various types of reactions requiring high pressures and temperatures. Due to the small internal volume, all processes occurring in them are easily intensified, high accuracy and efficiency of the experiment can be achieved. Parameters such as reaction temperature and reagent consumption varied. A new approach to conducting the experiment was used, based on minimizing the control parameters used and combining them correctly. This approach requires high ac-curacy and reproducibility of the results, so the microchannels used in this work are the best choice for such tasks. A mathematical model of the reaction based on systems of equations of varying complexity has been developed. Three-dimensional and two-dimensional contour diagrams are constructed to visualize the mathematical model of the process. The best technological parameters of the process have been established.
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Composites materials based on natural chrysotile fibers

https://doi.org/10.58224/2619-0575-2024-7-1-4-21
 4-21 p.
Abstract
The article discusses the technology of production, the problems of the development of chrysotile and chrysotile cement industries in the CIS countries. The article provides information on the composition and properties of natural chrysotile fibers, data on the quality of raw materials of cement and chrysotile fibers supplied to chrysotile cement enterprises, characteristics of suspension with them, semi-finished product and properties of solidified chrysotile cement products.
The purpose of the research is to study the influence of external and internal factors, risks on the development of the chrysotile-asbestos industry, on the sales market. Identification of the dependence of the influence of the pa-rameters of chrysotile fiber and cement on the quality of finished chrysotile cement products.
Analysis of scientific literature, analysis of current production, identification and monitoring of the quality of raw materials and finished products, comparative analysis of production and consumption markets.
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Quantum model of anharmonic vibrations of a diatomic molecule with a variable force constant and a small value of the anharmonicity coefficient

https://doi.org/10.58224/2619-0575-2024-7-1-22-31
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 22-31 p.
Abstract
In this work, vibrations of a diatomic molecule are considered within the framework of quantum mechanics as an anharmonic oscillator with small values of the anharmonicity coefficient. Based on well-known models of quantum harmonic and anharmonic oscillators, a new model with a variable value of the molecule force constant was created here. The force constant depends on the vibrational quantum number n and the anharmonicity coefficient . Mathematical analysis of this model confirmed its physical validity. As an example, the vibrational energy of an oxygen molecule was calculated within the framework of the model presented in the work.
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Application of thermal methods for the analysis of organic matter content in urbanozems

https://doi.org/10.58224/2619-0575-2024-7-1-32-40
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 32-40 p.
Abstract
Objectives: the purpose of the study is to determine the content of organic matter in anthropogenic soils using thermal analysis methods.
Methods. Physico-chemical methods of soil sample analysis were used, the actual acidity, ash content and or-ganic matter were determined according to GOST 26213-2021 and by thermogravimetric analysis.
Results. It is shown that the content of organic substances in soils by thermogravimetry and according to GOST 26213-2021 differ by no more than 15.4%, which, in particular, may be due to the decomposition of inorganic sub-stances during prolonged exposure at a temperature of 525 ° C according to the GOST method. Nevertheless, the thermogravimetry method provides information about the temperatures at which the maximum decomposition rate is observed.
Conclusions. It has been established that the methods of thermogravimetry and according to GOST 26213-2021 give different results of the content of organic carbon in the soil due to different temperatures of maximum decom-position of humic acids. The higher the maximum decomposition temperature, the less organic substances decom-pose when studying soils by thermogravimetry.
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Structural parameters of YBa2Cu3-xO6+y

https://doi.org/10.58224/2619-0575-2024-7-1-41-48
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 41-48 p.
Abstract
the aim of the work is to study the structural parameters of phase 1-2-3 by precision X-ray diffraction method. The refinement of composition and structural parameters to the divergence factor R = 0.008 was carried out. The composition of the substance can be expressed by the formula . Higher values of the mean-square amplitudes of atoms vibrations and vibration anisotropy were obtained for Си1 and О1 located in the basis plane z = 0. Comparison with data obtained at low temperatures suggests that the high mobility of Си1 and O1 is related to static displacements of atoms from their crystallographic positions. There is a correlation between the deviation from the oxygen stehiometry, the lattice period c and the value of the superconducting transition temperature Tc. An increase in the oxygen content is accompanied by an increase in Tc. Dependences of isotropic mean-square amplitudes of atoms-components vibrations of compounds on the oxygen content are plotted. For the O1 atom in the tetragonal phase, a marked growth of mean-square amplitudes of vibrations with increasing oxygen index is observed, which may be associated with an increase in the instability of the structure. It can be concluded that the analysis of precision diffraction studies for yttrium-barium-copper oxides allows us to identify the structural features responsible for the instability of this class of materials.
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