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Vol 58, No 4 (2024)

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GENERAL QUESTIONS

Stress-strain properties of microwave-irradiated polymer composite based on PDI-3A rubber

Nurullaev E., Khimenko L.L., Kozlov A.N., Allayarov S.R.

Abstract

The stress diagram of polymer composite material based on PDI-3A rubber filled with thermally expanded graphite or potassium chloride before and after microwave treatment for 300, 600, 900 and 1200 s has been studied. A twofold increase in tensile strength and deformability was found after microwave treatment for 300 c and testing at 223 K. With increasing the test temperature or microwave treatment time, a marked decrease in the deformation and tensile strength characteristics of the obtained composites was observed.

Himiâ vysokih ènergij. 2024;58(4):239-244
pages 239-244 views

PHOTONICS

Quantum-chemical modeling of dispersed systems with the yttrium aluminum garnet base

Plekhovich C.D., Plekhovich A.D., Kutiin A.M., Rostokina E.E., Budruev A.V., Biryukova T.Y.

Abstract

Laser material Y3Al5O12 (YAG), originally known in the form of a single-crystal, has been distributed and widely commercialized in the form of optical ceramics. The desire to expand the functionality of materials made of nanocrystals due to the size effect actualizes the study of the influence of their structure on the optical (vibrational and electronic) and other properties of new promising materials with the YAG base including glass ceramics. In this work, models of crystalline alumina-iodine garnet fragments have been calculated by DFT/uPBEPBE/SDD, DFT/uPBEPBE/lanl2DZ, and DFT/uB3PW91/SDD methods. The IR spectra were calculated by DFT/uPBEPBE/lanl2DZ method and the absorption bands of the calculated wave numbers were correlated with the measured ones. The electronic absorption spectrum and energy levels were calculated by the DFT/RB3PW91/SDD method.

Himiâ vysokih ènergij. 2024;58(4):245-252
pages 245-252 views

Low-energy excited singlet states of para-aminothiophenol in methanol and n-hexane solutions

Tseplina S.N., Tseplin E.E.

Abstract

Optical absorption spectra of para-aminothiophenol in n-hexane and methanol solutions have been obtained. The calculation has been carried out using the TDDFT B3LYP/6-311+G(d,p) method taking into account the polarizable continuum model of the electronic spectra of the p-aminothiophenol molecule in n-hexane and its hydrogen-bonded complex with two methanol molecules in a methanol solution. Based on these calculations, the main absorption bands are interpreted and it is shown that the second excited singlet state is formed by a π → σ* electronic transition, which makes a significant contribution to the first absorption band of p-aminothiophenol in these solutions.

Himiâ vysokih ènergij. 2024;58(4):253-258
pages 253-258 views

MOLECULAR PHOTONICS

Spectral properties of polymer composites doped with boron difluoride β-ketoiminates

Bodyk R.E., Khrebtov A.A., Tretyakova G.O., Fedorenko E.V., Mirochnik A.G.

Abstract

Polymeric luminescent compositions based on polycarbonate and polystyrene doped with β-ketoiminates of boron difluoride were obtained. The luminescent properties of 12 dyes with different substituents were investigated. The influence of the concentration of boron difluoride βketoiminates on the spectral properties of the samples was studied. It was found that the investigated dyes are characterized by monomeric luminescence even at tenfold increase of luminophore concentration (0.05–0.5%). It was found that compositions containing the dyes 3-amino-1-phenyl-2-buten-1-oneate of boron difluoride (1a) and 3-amino-1-phenyl-2-buten-1-oneate of boron difluoride (2a) exhibit exciplex luminescence in polystyrene.

Himiâ vysokih ènergij. 2024;58(4):259-266
pages 259-266 views

PHOTOPOLYMERIZATION

Kinetics of multifunctional (meth)acrylates photopolymerization in the presence of aromatic imidazole

Begantsova Y.E., Konev A.N.

Abstract

The photolysis of phenanthroline-containing imidazole in DMSO solution and the initiating ability of the compound in photopolymerization of multifunctional (meth)acrylates under LED irradiation (λ = 395 nm) under aerobic conditions were investigated for the first time. The relationship of kinetic parameters of photopolymerization with light intensity, chemical structure, and viscosity of multifunctional monomers was established.

Himiâ vysokih ènergij. 2024;58(4):267-274
pages 267-274 views

RADIATION CHEMISTRY

Functionalization of polypropylene subjected to gamma-irradiation and postradiation high-temperature shear grinding and its toxic properties

Allayarova U.Y., Allayarov S.R., Demidov S.V., Baimuratova R.K., Chekalina S.D., Mishchenko D.V., Klimanova E.N., Abdusalamov A.B., Dixon D.A.

Abstract

The results of FT-IR spectral study of polypropylene (PP) subjected to gamma irradiation and postradiation high-temperature shear milling are presented. Absorption peaks of hydroxyl and oxygen-containing groups appear in the IR spectra of air-irradiated PP pellets, the intensity of which decreases markedly in the powder obtained after grinding of irradiated polymer pellets. Toxic properties of PP obtained by grinding by high-temperature shear milling of irradiated polymer pellets were investigated. It was shown that gamma-irradiation of polymer pellets in air has no effect on toxic properties of its powder obtained by grinding of irradiated pellets with 700–4500 kGy dose. It was found that when administered intragastrically to BDF mice1 PP powder from non-irradiated and irradiated granules is moderately toxic.

Himiâ vysokih ènergij. 2024;58(4):275-283
pages 275-283 views

Study of the gamma radiation effect on the molecular structure of tetrafluoroethylene telomers and fluorotelomeric glass fabric coatings by Raman spectroscopy

Kichigina G.A., Kusch P.P., Zhidkov M.V., Shulga Y.M., Kiryukhin D.P., Golosov E.V.

Abstract

A spectral study of radiation-synthesized telomers of tetrafluoroethylene with different end groups has been carried out by Raman spectroscopy for the first time. The effect of gamma radiation on the molecular structure of telomeres and hydrophobic coatings of aluminoborosilicate glass fabric based on them was studied. Changes in the molecular and morphological structure of telomeres are observed under the action of gamma radiation.

Himiâ vysokih ènergij. 2024;58(4):296-303
pages 296-303 views

Role of molecular nitrogen in the radiolysis of the primary coolant of a water-water energy reactor

Grachev V.A., Bystrova O.S., Sazonov A.B.

Abstract

The results of modeling of radiation-chemical transformations in the coolant of the VVER primary circuit are presented. It is shown that under conditions of intensive irradiation molecular nitrogen dissolved in the coolant exhibits chemical activity. The reaction of N2 molecule with excited hydroxyl initiates the formation of ammonia and nitrous acid. Further decomposition of ammonia yields only oxidized forms of nitrogen, with N2 acting as an intermediate product. Maintenance of hydrogen and oxygen concentrations within the norms at ammonia water-chemical regime (WCR) appears to be possible only at constant dosing of NH3 and degassing of the coolant. On the contrary, in the case of WCR with dosing (at the initial moment) of H2 in the absence of perturbations the steady-state regime is quickly established, satisfying the requirements of the WCR norms for VVER. The difference between the two WCRs is due to the presence of nitrogen in the NH3 molecule and its transformations as an element, regardless of the initial chemical form.

Himiâ vysokih ènergij. 2024;58(4):284-295
pages 284-295 views

Direct effect of fast electrons on hexafluoroacetylacetone

Vlasov S.I., Kholodkova E.M., Ponomarev A.V.

Abstract

The radiolysis of liquid and boiling hexafluoroacetylacetone was studied. The structure of the main radiolysis products indicates the predominance of C–CF3 and C–F bond cleavages. Ten compounds are formed, including monoketones, trifluoroacetic acid, keto alcohols, and tautomeric tetraketones. Carbon monoxide is the main gaseous product and its yield increases under boiling conditions. The initial yield of hexafluoroacetylacetone degradation is 0.29 ± 0.2 and 0.32 ± 0.2 µmol J-1 at 293 and 343 K, respectively. No accumulation of free HF is observed at low doses. The products of radiolysis are less diverse than in acetylacetone, which is due to the increased “cage” effect, the increase in the Onsager radius and the ability of trifluoromethyl groups to dissipate excitation energy.

Himiâ vysokih ènergij. 2024;58(4):304-311
pages 304-311 views

Kinetics of radiation-oxidative aging of polyamide fibers and composites based on them

Dalinkevich A.A., Piskakev I.M., Fomin L.V., Nenasheva T.A.

Abstract

Kinetics of the decrease in the strength of polyamide PA-6 (poly-ε-caprolactam) fibers by X-ray irradiation in air at absorbed dose rates ranging within 0.16–10 Gy/s has been studied. It has been shown that strength of irradiated polyamide PA-6 fibers decreases to a certain limiting value depending on the dose rate and can be described by the kinetics of a reversible pseudo-first-order reaction. The proposed structural-kinetic model of radiation–oxidative aging of fibers takes into account the opposite effects of destruction and crosslinking of tie macromolecules on the strength of the oriented polymer (fiber),and structural features of the oriented polymer. The model agrees well with experiment and allows us to describe the change in the strength of an oriented polymer (fibers PA-6) and a unidirectional composite (impregnated strands) based on them during the simultaneous occurrence of processes of radiation–oxidative degradation and crosslinking of macromolecular chains.

Himiâ vysokih ènergij. 2024;58(4):312-318
pages 312-318 views

On the ionization energy of the atomic gold ion Au2+

Boltnev R.E., Karabulin A.V., Krushinskaya I.N., Pelmenev A.A., Matyushenko V.I.

Abstract

Analysis of the luminescence spectra of the plasma formed by laser ablation of a gold target immersed in superfluid helium at a laser power density below the breakdown threshold of liquid helium shows that the ionization energy of the Au2+ ion should be at least 34 eV.

Himiâ vysokih ènergij. 2024;58(4):319-321
pages 319-321 views

Influence of absorbing layers on the average dose and dose uniformity during irradiation with 1–3 MEV electrons

Bludenko A.V., Ponomarev A.V.

Abstract

Electron beams with energies up to 3 MeV, widely used in technological and research practice, have a relatively low penetration depth into matter, and the nonuniformity of energy absorption can reach 30% per 1 mm of path. High nonuniformity, as well as the high cost of radiation, requires the researcher to have skills in optimizing the uniformity of irradiation and reducing energy losses. This work presents the dependence of the average absorbed dose and dose nonuniformity when irradiating a liquid with a horizontal beam in test tubes or pipes with different glass wall thicknesses (0.2–2 mm Pyrex). The dependencies are applicable to clarify, predict and analyze the distribution of absorbed dose in materials.

Himiâ vysokih ènergij. 2024;58(4):322-328
pages 322-328 views

PLASMA CHEMISTRY

Plasma-chemical modification of polyethylene surface for copolymerization with diallyldimethylammonium chloride

Smirnov S.A., Shikova T.G., Kholodkov I.V., Maltsev A.A., Misin V.M.

Abstract

Changes in the composition of the surface layer of polyethylene film after treatment in the positive column of glow discharge of direct current in the flow of oxygen and argon have been studied. The possibility of copolymerization of diallyldimethylammonium chloride monomer and polyethylene surface modified in plasma is shown.

Himiâ vysokih ènergij. 2024;58(4):329-334
pages 329-334 views

Gallium selenide thin films grown on silicon by plasma-enhanced chemical vapor deposition

Kudryashov M.A., Mochalov L.A., Kudryashova Y.P., Slapovskaya E.A.

Abstract

Gallium selenide (GaSe) thin films on silicon (111) have been first grown by plasma-enhanced chemical vapor deposition (PECVD) using high-purity elemental gallium and selenium as the precursors. The reactive plasma components formed in the gas phase have been studied by optical emission spectroscopy. All grown films have a stoichiometry similar to that of GaSe. An increase in the plasma discharge power to 50 W and higher leads to the formation of an ε-GaSe phase, an improvement in the structural quality of the films, and an increase in the grain sizes with simultaneous grain compaction.

Himiâ vysokih ènergij. 2024;58(4):335-341
pages 335-341 views

SHORT COMMUNICATIONS RADIATION CHEMISTRY

On the radiation resistance of tetrafluoroethylene telomers with terminal hydroxyl groups

Kichigina G.A., Kushch P.P., Kiryukhin D.P., Shulga Y.M.
Himiâ vysokih ènergij. 2024;58(4):342-344
pages 342-344 views