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Predictive Modeling of the Photochromism of Amphiphilic Spironaphthoxazines in Organic Solvents 两亲性螺萘恶嗪类化合物在有机溶剂中光致变色的预测模型
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S207020512570056X
Yu. M. Selivantyev, N. Yu. Spitsyn, A. N. Morozov, V. S. Mityanov, A. V. Kutasevich, V. V. Novikova, O. A. Raitman

This paper presents the results of quantum-chemical modeling and experimental study of the optical properties of amphiphilic spironaphthoxazines in organic solvents. For the first time, a predictive model has been developed for calculating the spectral characteristics of photochromes of this class. It is shown that taking into account multiconfigurational interaction by the CASSCF method allows obtaining information about the complex nature of photo-induced electronic transitions in spironaphthoxazines.

本文介绍了两亲性螺萘恶嗪类化合物在有机溶剂中光学性质的量子化学模拟和实验研究结果。本文首次建立了计算这类光致变色材料光谱特性的预测模型。研究表明,通过CASSCF方法考虑多构型相互作用,可以获得有关螺旋萘恶嗪中光诱导电子跃迁的复杂性质的信息。
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引用次数: 0
Equilibrium Sorption of Phenol from Aqueous Solutions by Activated Carbons Based on Various Raw Materials 不同原料活性炭平衡吸附苯酚的研究
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700492
Yu. A. Kolesova, I. V. Voronyuk, T. V. Eliseeva

This paper studies phenol sorption on VSK-400 and Norit GAC 1240W activated carbons obtained from various raw materials at different temperatures under static conditions. Sorption capacity for a number of inorganic substances is determined, indicating the number of functional acid and basic groups, and also giving a preliminary characteristic of the surface area of sorbents by the amount of adsorbed molecular iodine. Surface morphology of carbon particles from various raw materials is assessed using microphotographs obtained by scanning electron microscopy. When comparing the equilibrium characteristics in the studied concentration range, a greater ability to extract phenol for VSK-400 carbon is noted. At the same time, its sorption characteristics are not affected by temperature and the presence of mineral salt.

在静态条件下,研究了由不同原料制备的VSK-400和Norit GAC 1240W活性炭在不同温度下对苯酚的吸附性能。对许多无机物的吸附能力是确定的,表明功能酸和碱性基团的数量,并通过吸附分子碘的量给出吸附剂表面积的初步特征。使用扫描电子显微镜获得的显微照片评估来自各种原材料的碳颗粒的表面形貌。当比较所研究浓度范围内的平衡特性时,注意到VSK-400碳提取苯酚的能力更大。同时,其吸附特性不受温度和无机盐存在的影响。
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引用次数: 0
Chemical Modification of Cycloaliphatic Epoxy Matrix for Development of Anticorrosion Coatings 环脂肪族环氧基的化学改性及其在防腐涂料中的应用
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700455
N. K. Golubeva, T. A. Kochina, A. G. Ivanova, Nguyen Van Chi

In this work, nine new binder compositions were synthesized based on a cycloaliphatic epoxy matrix (EP) modified with methylene diphenyl diisocyanate (MDI) and polydimethylsiloxane rubber (PDMS) with different ratios of components. The modification of the composition was confirmed by IR and NMR spectroscopy. A correlation was established between hardness, contact angle and coating composition based on binder data. Fillers such as muscovite mica and titanium dioxide were introduced into the composition of the developed binders to evaluate the physical and mechanical properties of the coatings. The influence of curing conditions (hardener, curing temperature) on the physical and mechanical properties of the coating was studied. The corrosion resistance of coatings was assessed using electrochemical methods. The weather resistance of the filled composition EP-10MDI-10PDMS was studied under humid tropical climate conditions. The coating composition is EP-10MDI-10PDMS with fillers (muscovite mica, ({text{Ti}}{{{text{O}}}_{2}})) previously synthesized biologically active substances ({text{Cu}}left( {{text{II}}} right)), ({text{Zn}}left( {{text{II}}} right),) and ({text{Co}}left( {{text{II}}} right)) complexes of tris(2-hydroxyethyl)amine (hydrometallatranes) were also introduced to enhance antifouling properties and their evaluation in the natural conditions of Nha Trang Bay (Dam Bai Bay).

以亚甲基二苯基二异氰酸酯(MDI)和聚二甲基硅氧烷橡胶(PDMS)为改性原料,以环脂肪族环氧基(EP)为基材,按不同配比对其进行改性,合成了9种新型粘结剂。通过红外光谱和核磁共振谱分析证实了该化合物的改性。根据粘结剂数据,建立了硬度、接触角与涂层成分之间的相关性。采用白云母、云母、二氧化钛等填料对涂料的物理力学性能进行了评价。研究了固化条件(硬化剂、固化温度)对涂层物理力学性能的影响。用电化学方法评价了涂层的耐蚀性。研究了填充组合物EP-10MDI-10PDMS在潮湿热带气候条件下的耐候性。以ep10mdi - 10pdms为涂层组成,填料为白云母,({text{Ti}}{{{text{O}}}_{2}})),并引入已有生物活性物质({text{Cu}}left( {{text{II}}} right))、({text{Zn}}left( {{text{II}}} right),)和({text{Co}}left( {{text{II}}} right))三(2-羟乙基)胺(hydrometallatranes)配合物,提高其防污性能,并对其在芽庄湾(坝白湾)自然条件下的性能进行评价。
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引用次数: 0
Structure and Properties of Electrochemically Deposited Nickel–Boron Coatings Modified with Protective Gold–Cobalt Film 金-钴保护膜改性电化学沉积镍硼涂层的结构与性能
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700571
L. S. Tsybulskaya, S. S. Perevoznikov, V. S. Shendyukov, V. A. Kukareko, A. N. Grigorchik, A. V. Kushnerov, Lafargue Perez Francisco

The structure and properties of a nickel–boron coating with an immersion-deposited gold–cobalt film were studied. It has been shown that the application of a thin gold film (30–32 nm) protects the functional nickel–boron coating from oxidation during long-term storage under normal conditions and annealing for 1 h in an air atmosphere in the temperature range of 250–350°C. It has been established that, during annealing of the modified coating, no mutual diffusion of the elements of the substrate and coating occurs. X-ray structural analysis of the modified Ni–B coating showed that the diffraction patterns contain diffraction lines from gold, broadened lines from a solid solution of boron in nickel of the interstitial-substituted type. Low temperature annealing (250–300°C) the Ni–B coating modified with an Au–Co film leads to a decrease in the width of the diffraction lines of the matrix solid solution of boron in nickel, as well as to an increase in the values of its crystal lattice parameter and an increase in the microhardness of the coating to 850–890 HV 0.025. Annealing of the coating at 350°C leads to the release of nanosized particles of the nickel boride phase and is accompanied by a decrease in microhardness to 720–750 HV 0.025. It was concluded that the nickel–boron coating with a gold–cobalt protective film applied after annealing has increased microhardness (850–890 HV 0.025), high wear resistance under boundary friction conditions (linear wear intensity of the coating Ih = 1.6 × 1010 µm/m) and a low coefficient of friction (f = 0.15), which makes Ni–B/Au–Co coatings comparable in their tribotechnical characteristics to chromium coatings. Modified Ni–B/Au–Co coatings retain the ability to be soldered using low-temperature solder and non-active alcohol–rosin flux, and also have low contact electrical resistance after long-term storage.

研究了浸镀金-钴膜镍硼涂层的结构和性能。结果表明,在正常条件下长期储存和在250 ~ 350℃的空气气氛中退火1 h时,应用薄金膜(30 ~ 32 nm)可以保护功能镍硼涂层免受氧化。结果表明,在改性涂层退火过程中,基体元素与涂层元素不发生相互扩散。对改性Ni-B涂层的x射线结构分析表明,其衍射谱线包含来自金的衍射谱线,以及来自硼在镍中的溶解体的宽谱线。经Au-Co膜改性的Ni-B涂层在低温退火(250 ~ 300℃)后,基体硼在镍中的固溶体的衍射线宽度减小,其晶格参数值增大,镀层显微硬度提高到850 ~ 890 HV 0.025。涂层在350℃下退火导致纳米级硼化镍相颗粒的释放,显微硬度降低到720-750 HV 0.025。结果表明,镀有金钴保护膜的镍硼涂层具有显微硬度(850 ~ 890 HV 0.025)、边界摩擦条件下的高耐磨性(涂层线性磨损强度Ih = 1.6 × 1010 μ m/m)和低摩擦系数(f = 0.15),使Ni-B / Au-Co涂层的摩擦技术性能可与铬涂层相比较。改性Ni-B / Au-Co涂层保留了使用低温焊料和非活性醇松香助焊剂进行焊接的能力,并且在长期储存后也具有低接触电阻。
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引用次数: 0
On the Application of the Mann–Whitney Criterion to the Study of Self-Organization Processes of Nanodispersed Media 曼-惠特尼准则在纳米分散介质自组织过程研究中的应用
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205124702137
N. I. Sidnyaev, L. S. Sklyarinsky

The article is devoted to the presentation of statistical mechanics as applied to nanomaterials, based on multivariate statistical studies. The fundamentals of statistical nanomechanics and their application to the theory of self-organization of nanodispersed media are presented.

本文以多元统计研究为基础,介绍统计力学在纳米材料中的应用。介绍了统计纳米力学的基本原理及其在纳米分散介质自组织理论中的应用。
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引用次数: 0
The Influence of Energy Parameters on the Structure and Properties of Ti–Al–C Coatings Obtained by DCMS and HIPIMS Methods 能量参数对采用DCMS和HIPIMS方法制备的Ti-Al-C涂层结构和性能的影响
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700480
Ph. V. Kiryukhantsev-Korneev, A. D. Chertova, P. Feng, X. Ren, E. A. Levashov

By direct-current magnetron sputtering (DCMS) and high-power impulse magnetron sputtering (HIPIMS) methods at peak currents of 50 and 100 A, as well as by applying a negative bias voltage of –500 V to a substrate with a target compound of Ti2AlC, nanostructured coatings in the Ti–Al–C system with a thickness of 1.8–6.4 μm were obtained. The main phase in the coatings was titanium carbide; when using HIPIMS, the intermetallic compound TiAl was additionally formed. It was found that the coatings deposited by the DCMS method have a maximum hardness of 31 GPa and an elastic modulus of 294 GPa, as well as a low friction coefficient of 0.2, while the HIPIMS method, when using optimal conditions, provides a minimum wear rate of 5.1 × 10–6 mm3 N–1m–1, thermal stability, and oxidation resistance up to 1000°С. The protective properties are associated with the formation of dense surface films based on aluminum oxide. The use of HIPIMS by applying a high negative bias voltage to the substrate promotes the precipitation of Ti2AlC and Ti3AlC2 MAX-phase crystallites with a crystallite size of less than 100 nm during vacuum annealing of coatings at 1000°С.

采用直流磁控溅射(DCMS)和高功率脉冲磁控溅射(HIPIMS)方法,在峰值电流为50 A和100 A的条件下,对目标化合物Ti2AlC的衬底施加-500 V的负偏置电压,获得了厚度为1.8 ~ 6.4 μm的Ti-Al-C纳米结构涂层。涂层中主要相为碳化钛;当使用HIPIMS时,额外形成金属间化合物TiAl。结果表明,采用DCMS方法沉积的涂层最大硬度为31 GPa,弹性模量为294 GPa,摩擦系数为0.2,而HIPIMS方法在最佳条件下的最小磨损率为5.1 × 10-6 mm3 N-1m-1,热稳定性和抗氧化性最高可达1000°С。保护性能与基于氧化铝的致密表面膜的形成有关。通过在衬底上施加高负偏置电压来使用HIPIMS,在1000°С真空退火涂层时,促进了晶粒尺寸小于100 nm的Ti2AlC和Ti3AlC2 max相晶体的析出。
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引用次数: 0
Carbon Materials for Application Sorption. Review 应用于吸附的碳材料。审查
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700558
A. V. Sedanova, N. V. Kornienko, L. G. Pyanova, M. S. Delyagina

The review presents the classification, characteristics, and range of sorbents and wound dressings of various natures developed and used in application therapy. New trends and developments in carbon-based vulnerosorption materials are demonstrated.

本文综述了各种性质的吸收剂和伤口敷料的分类、特点和范围。介绍了碳基脆弱吸附材料的新趋势和新发展。
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引用次数: 0
Study of Thermodynamic Features of Ketoximes as Corrosion Inhibitors in Hydrogen Sulfide-Containing Media 酮肟类缓蚀剂在含硫化氢介质中的热力学特性研究
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205124702216
D. Yu. Karachevsky, A. G. Mustafin

The effect of the structure on the inhibitory properties of ketoximes in a simulated NACE formation water saturated with carbon dioxide and hydrogen sulfide has been studied. The influence of medium temperature and exposure time on inhibitory properties has been established. The influence of the “structure–property,” kinetic and physico-chemical parameters of interaction, as well as the mechanism of adsorption on the metal surface are investigated. Based on the obtained values, it is proved that the neutral form of acetophenonoxime is more preferable for the adsorption process on the metal surface than the protonated one. This phenomenon is explained by the fact that neutral molecules are more “soft” compounds and have low stability, and, consequently, tend to transfer electrons by iron atoms with electron deficiency.

在含二氧化碳和硫化氢的模拟NACE地层水中,研究了结构对酮肟抑制性能的影响。确定了介质温度和暴露时间对抑菌性能的影响。研究了相互作用的“结构-性质”、动力学和理化参数的影响,以及在金属表面的吸附机理。根据所得值,证明了苯乙肟的中性形态比质子化形态更适合在金属表面的吸附过程。中性分子是更“软”的化合物,稳定性低,因此倾向于通过缺电子的铁原子转移电子,这一事实解释了这种现象。
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引用次数: 0
Sorption Properties of a Polymer Based on Glycidyl Acrylate and Starch 丙烯酸缩水甘油酯-淀粉基聚合物的吸附性能
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125700534
V. A. Lipin, A. N. Yevdokimov, Yu. A. Petrova, I. V. Krasanov, A. V. Dmitrieva, V. E. Sitnikova, A. A. Purtova

The sorption capacity of a synthesized polymer based on starch and glycidyl acrylate in relation to heavy-metal ions is studied. It is shown that the sorption of metal ions is reliably described by the Langmuir model, while the process itself has a physical character. It is found by thermogravimetric analysis that the process of thermal destruction of the polymer occurs in three stages, and that of its complex with copper, in four stages. The activation energy of decomposition of the initial polymer is in a range of 24–38 kJ/mol for each stage, while for its complex with copper it is 46–68 kJ/mol. The introduction of Cu(II) increases the thermal stability of the obtained polymer based on starch.

研究了合成的淀粉-丙烯酸缩水甘油酯聚合物对重金属离子的吸附性能。结果表明,Langmuir模型可靠地描述了金属离子的吸附过程,而吸附过程本身具有物理性质。热重分析发现,聚合物的热破坏过程分为三个阶段,与铜的配合物的热破坏过程分为四个阶段。初始聚合物各阶段的分解活化能为24 ~ 38 kJ/mol,与铜的配合物的分解活化能为46 ~ 68 kJ/mol。Cu(II)的引入提高了所获得的淀粉基聚合物的热稳定性。
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引用次数: 0
Erratum to: A Study of Adsorption Forms of 1,2,3-Benzotriazole on the Surface of Copper by the Methods of Raman Spectroscopy and DFT Modeling 用拉曼光谱和DFT建模方法研究1,2,3-苯并三唑在铜表面的吸附形式
IF 0.8 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-18 DOI: 10.1134/S2070205125330019
D. V. Belov, S.N. Belyaev, S. S. Arsentyev, N. A. Sorokoletova, E. I. Serebrov, D. B. Radishchev
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引用次数: 0
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Protection of Metals and Physical Chemistry of Surfaces
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