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Electrophoresis of Conducting and Nonconducting Microparticles in a Polar Electrolyte under a Strong Electric Field 强电场作用下极性电解质中导电和不导电微粒的电泳
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600162
E. A. Frants, A. A. Krylov, E. A. Demekhin

This work is devoted to studying electrophoresis of conducting and nonconducting particles in a polar electrolyte solution under the action of a strong electric field. Numerical simulation results are presented for both types of particles, including distributions of cation and anion concentrations, charge densities, and total concentrations and fluxes of ions near the particle surface. It is shown that an extended spatial charge region arises near a dielectric surface at a sufficiently high surface charge. This region is formed due to a high surface conductivity in the electrical double layer and intense tangential ion fluxes. Qualitative differences are revealed between the the mechanisms of extended spatial charge formation for ion-selective and dielectric particles. The results obtained facilitate understanding the nonlinear electrokinetic processes and can be useful for designing microliquidic systems and colloidal technologies.

本文研究了在强电场作用下极性电解质溶液中导电和不导电粒子的电泳。给出了两种粒子的数值模拟结果,包括正离子和阴离子浓度的分布、电荷密度、粒子表面离子的总浓度和通量。结果表明,当表面电荷足够高时,介电表面附近会出现一个扩展的空间电荷区。该区域的形成是由于双电层的高表面导电性和强烈的切向离子通量。揭示了离子选择粒子和介电粒子扩展空间电荷形成机制的质的差异。所得结果有助于理解非线性电动力学过程,并可用于设计微流体系统和胶体技术。
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引用次数: 0
The Effect of a Permeable Membrane on the Crystallization of a Simple Liquid 渗透膜对简单液体结晶的影响
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600538
Yu. D. Fomin, E. N. Tsiok, V. N. Ryzhov

The article discusses the deposition of a gas onto a crystalline substrate in the presence of a permeable membrane between the substrate and the gas. The membrane repels gas particles; however, the repulsive potential has a finite maximum force, thus allowing gas particles to penetrate through this membrane when their velocity exceeds a certain value. It is shown that, depending on the maximum repulsive force of the membrane (repulsion intensity), the system acquires absolutely different final states: a single crystal, polycrystals with different degrees of porosity, or no crystallization occurs in the system at all.

本文讨论了在衬底和气体之间存在可透膜的情况下,气体在结晶衬底上的沉积。膜排斥气体颗粒;然而,排斥力有一个有限的最大力,因此,当气体颗粒的速度超过一定值时,它们可以穿透这种膜。结果表明,根据膜的最大斥力(斥力强度)的不同,体系获得了完全不同的最终状态:单晶,多孔程度不同的多晶,或者系统中根本不发生结晶。
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引用次数: 0
Extension of the Inverse “Dry” Micelle Model to Disc-Shaped Aggregates 逆“干”胶束模型在圆盘状聚集体中的推广
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600356
Yu. A. Eroshkin, L. Ts. Adzhemyan, A. K. Shchekin

A molecular thermodynamic model has been considered for the formation and growth of nonionic aggregates of surfactant molecules in a nonpolar solvent in the absence of water. The model implies fluctuating coexistence of micelles having different shapes without activation barriers between them. The work of micelle aggregation has been derived for a ({{{text{C}}}_{{{text{12}}}}}{{{text{E}}}_{{text{4}}}}) solution in heptane using molecular dynamics data. In the considered model, it is assumed that, for any aggregation numbers, the minimal aggregation work depends not only on the aggregation numbers and surfactant monomer concentration, but also on two independent shape parameters characterizing the deviation from the spherical shape of an aggregate. This approach provides a unified description for both disc-shaped and cylindrical micelles.

本文考虑了在无水的非极性溶剂中表面活性剂分子的非离子聚集体的形成和生长的分子热力学模型。该模型暗示具有不同形状的胶束的波动共存,它们之间没有激活障碍。利用分子动力学数据推导了({{{text{C}}}_{{{text{12}}}}}{{{text{E}}}_{{text{4}}}})溶液中庚烷胶束聚集的功。在所考虑的模型中,假设对于任意聚集数,最小聚集功不仅取决于聚集数和表面活性剂单体浓度,还取决于表征聚集体偏离球形的两个独立形状参数。这种方法提供了圆盘状和圆柱形胶束的统一描述。
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引用次数: 0
Atomistic Simulation of Thermoinduced Structural Transformations in Four-Component Cu–Au–Pt–Pd Nanoalloys with Different Morphologies 不同形貌四组分Cu-Au-Pt-Pd纳米合金热致结构转变的原子模拟
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600526
N. Yu. Sdobnyakov, V. M. Samsonov, S. V. Serov, N. I. Nepsha, D. N. Sokolov, K. G. Savina, S. A. Veresov, A. Yu. Kolosov

The article presents the results of the molecular dynamics simulation performed for thermoinduced structural transformations in four-component Cu–Au–Pt–Pd nanoalloys using the tight-binding potential. The following configurations have been chosen as initial ones: a core–shell (Cu200–Au600–Pt800)@Pd2400 system, in which the core is a multicomponent alloy with uniformly distributed components; an onion-like Cu200@Au600@Pt800@Pd2400 structure, a Cu200–Au600–Pt800–Pd2400 alloy with a uniform distribution of the components, and Janus structures with asymmetric (Cu200/Au600/Pt800/Pd2400) and symmetric (Cu100/Au300/Pt400/Pd2400/Pt400/Au300/Cu100 and Pd1200/Pt400/Au300/Cu200/Au300/Pt400/Pd1200) distributions of the components. The analysis of the temperature dependences of the potential component of the internal energy has been employed to determine the temperatures corresponding to the onset of the melting–crystallization phase transition and to estimate the value of the temperature hysteresis. The regularities have been found for variations in these values as depending on the thermal action rate. The regularities of the structure formation have been analyzed, the dominating role of the local fcc environment has been revealed, and the cases of the formation of other crystalline structures (hcp and bcc) have been observed. The regularities of chemical segregation have been described confirming that different scenarios of the segregation behavior of the components may take place. An original technique has been used to estimate the specific surface energy for multicomponent metal nanoparticles (final configurations resulting from a cycle of a thermal action including the melting–crystallization phase transitions). The values of the specific surface energy correlate with the stability of the final configurations corresponding to different initial configurations.

本文介绍了利用紧密结合电位对四组分Cu-Au-Pt-Pd纳米合金的热致结构转变进行分子动力学模拟的结果。初始选择如下配置:芯-壳(Cu200-Au600-Pt800)@Pd2400体系,芯为组分均匀分布的多组分合金;洋葱状Cu200@Au600@Pt800@Pd2400结构,均匀分布的Cu200 - Au600 - Pt800 - Pd2400合金,非对称分布(Cu200/Au600/Pt800/Pd2400)和对称分布(Cu100/Au300/Pt400/Pd2400/Pt400/Au300/ Au300/ Au300/ Au300/Pt400/Pd1200)的Janus结构。通过对内能势分量的温度依赖性分析,确定了熔化结晶相变开始时的温度,并估计了温度滞后的值。已经发现这些值的变化规律取决于热作用率。分析了结构形成的规律,揭示了局部fcc环境的主导作用,并观察了其他晶体结构(hcp和bcc)的形成情况。描述了化学偏析的规律,证实了组分可能发生不同的偏析行为。一种原始的技术已经被用来估计多组分金属纳米颗粒的比表面能(由热作用循环产生的最终构型,包括熔融结晶相变)。比表面能的取值与不同初始构型对应的最终构型的稳定性有关。
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引用次数: 0
Transformation of Aqueous Methyl Methacrylate Solution into Stable Monodisperse Latex via Polymerization Initiated by Hydroquinone–Potassium Persulfate System 对苯二酚-过硫酸钾体系引发聚合将甲基丙烯酸甲酯水溶液转化为稳定的单分散乳胶
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-25 DOI: 10.1134/S1061933X25600332
A. A. Hovhannisyan, G. K. Grigoryan, A. G. Nadaryan, N. H. Grigoryan

The goal of this work is to determine the possibilities to synthesize stable latex with a narrow particle size distribution by homogeneous polymerization of methyl methacrylate in an aqueous solution. For the first time, methyl methacrylate is polymerized under static conditions in an aqueous solution of a hydroquinone–potassium persulfate redox system. It is assumed that semiquinone radical anions formed at the intermediate stage of hydroquinone oxidation can participate in the termination of growing radicals and affect the process of formation of latex particles by changing parameters of polymer molecules. The article presents the results of studying the colloidal parameters of the obtained latex, which show that the selected polymerization conditions make it possible to reproducibly synthesize monodisperse stable latexes.

这项工作的目的是确定通过甲基丙烯酸甲酯在水溶液中均匀聚合来合成具有窄粒径分布的稳定乳胶的可能性。首次在对苯二酚-过硫酸钾氧化还原体系的水溶液中,静态条件下进行了甲基丙烯酸甲酯的聚合。假设对苯二酚氧化中间阶段形成的半醌自由基阴离子可以通过改变聚合物分子的参数,参与终止生长的自由基,影响乳胶颗粒的形成过程。对所制乳胶的胶体参数进行了研究,结果表明,所选择的聚合条件可以重复性地合成单分散稳定乳胶。
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引用次数: 0
Investigation of Interfacial Processes between Oil and Well Stimulation Fluids under Different Contact Conditions 不同接触条件下油与增产液界面过程研究
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-25 DOI: 10.1134/S1061933X25600216
T. I. Yunusov, L. F. Davletshina

One of the practical problems in the oil and gas industry is the formation of oil–acid emulsions and asphaltene sludge when well stimulation fluids come in contact with oil. The key to solving these problems lies in understanding the processes occurring at the interfaces between oil and these agents, with these processes being qualitatively studied in this work. This research investigates the processes occurring between sensitive oil and two types of well stimulation fluids based on hydrochloric acid and ethylenediaminetetraacetic acid (EDTA) in the presence and absence of a surfactant. Three following methods have been employed: simple mixing (“bottle-test”), simultaneous flow of fluids in a capillary, and simultaneous flow of fluids in a micromodel simulating a porous medium. Using the simple mixing method, it has been shown that the addition of the surfactant to a 15% hydrochloric acid solution can prevent sludge formation but does not hinder emulsion formation. Additionally, it has been found that EDTA-based fluids with neutral pH values are compatible even with sensitive oil. Experiments on the simultaneous flow have shown the role of capillary walls in creating sludge and the cleaning ability of the chelating agent. The simultaneous flow in the micromodel has revealed the distinctive features of hydrochloric acid as compared with the chelate, i.e., the discrete flow, emulsion formation in the near-wall layer, and precipitate formation on pore walls. The results of this study may be useful both for further fundamental studying interfacial processes in oil reservoirs and for practical applications.

石油和天然气工业中的一个实际问题是,当油井增产液与石油接触时,油酸乳状液和沥青质污泥的形成。解决这些问题的关键在于了解在油和这些介质之间的界面上发生的过程,这些过程在本工作中进行了定性研究。本研究考察了在存在和不存在表面活性剂的情况下,敏感油与基于盐酸和乙二胺四乙酸(EDTA)的两种增产液之间的过程。采用了以下三种方法:简单混合(“瓶试”)、毛细管中流体的同时流动以及模拟多孔介质的微模型中流体的同时流动。使用简单的混合方法,已经表明,在15%的盐酸溶液中加入表面活性剂可以防止污泥的形成,但不会阻碍乳化液的形成。此外,研究还发现,中性pH值的edta基流体甚至与敏感油兼容。同时流动实验证明了毛细管壁对污泥形成的作用和螯合剂的清洗能力。微观模型中的同步流动揭示了盐酸与螯合物相比的独特特征,即离散流动,近壁层形成乳状液,孔壁上形成沉淀。研究结果对进一步研究油藏界面过程的基础和实际应用具有一定的指导意义。
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引用次数: 0
Chrome–Polymer Composite as a Precursor for Obtaining a Sorbent with Selective Properties 铬-聚合物复合材料制备具有选择性吸附剂的前驱体
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-25 DOI: 10.1134/S1061933X25600447
V. Gutsanu, A.-M. Ipate, G. Lisa, M. Botnaru

A composite based on a cross-linked ionic polymer containing functional groups [–N(CH3)3]+ and a Cr3+ cation was obtained and studied. As a result of the contact of the polymer with the KCr(SO4)2 solution, the jarosite mineral-type composite is formed: R4N[Cr3(OH)6(SO4)2], in which R4N+ is the polymer group. Considering that the composite can be used as a sorbent with selective properties, its stability in solutions of KCl, Na2CO3, Na2SO4, NaNO3, NaF and Na2S was investigated. In concentrated NaCl solutions, the original composite is transformed into another, as a result of the replacement of  ({text{SO}}_{4}^{{2 - }}) with Cl ions. The regenerated polymer is capable of forming a composite again. Using FTIR, SEM EDX and thermogravimetry methods, the changes that occur in the polymer phase during composite formation and its regeneration were studied. It has been shown that the composite has selective sorption properties.

制备了一种含有官能团[-N (CH3)3]+和阳离子Cr3+的交联离子聚合物复合材料。聚合物与KCr(SO4)2溶液接触,形成黄钾铁矾矿物型复合材料:R4N[Cr3(OH)6(SO4)2],其中R4N+为聚合物基团。考虑到该复合材料可作为选择性吸附剂,考察了其在KCl、Na2CO3、Na2SO4、NaNO3、NaF和Na2S溶液中的稳定性。在浓NaCl溶液中,由于({text{SO}}_{4}^{{2 - }})被Cl -离子取代,原来的复合物转变为另一种复合物。再生的聚合物能够再次形成复合材料。利用红外光谱(FTIR)、扫描电镜(SEM)、EDX和热重等方法研究了复合材料形成和再生过程中聚合物相的变化。结果表明,该复合材料具有选择性吸附性能。
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引用次数: 0
Processes of Structure Formation in Aqueous Poly(vinyl alcohol) Solutions Under Vacuum Ultraviolet Irradiation 真空紫外照射下聚乙烯醇水溶液结构形成过程的研究
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-25 DOI: 10.1134/S1061933X24601331
N. V. Nekrasova, O. A. Khlebnikova, V. A. Lomovskoy, V. V. Vysotskii, A. D. Krot

It has been found that, when an aqueous 5% poly(vinyl alcohol) solution is subjected to vacuum ultraviolet (VUV) radiation at a wavelength of 172 nm, the solution structure changes to form crosslinked fragments of the polymer despite the fact that VUV radiation penetrates into the solution to a small depth.

研究发现,当5%的聚乙烯醇水溶液受到波长为172 nm的真空紫外线(VUV)辐射时,溶液结构发生变化,形成聚合物的交联片段,尽管VUV辐射渗透到溶液中的深度很小。
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引用次数: 0
Superhydrophobic Coating Based on EP-140 Epoxy Enamel: A Study of Mechanical Endurance under External Actions EP-140环氧磁漆超疏水涂层的力学耐久性研究
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-25 DOI: 10.1134/S1061933X25600307
E. A. Kuzina, M. A. Teplonogova, A. V. Buglak, K. A. Emelyanenko

This work is devoted to studying mechanical durability of a superhydrophobic coating obtained on the basis of commercial EP-140 epoxy enamel. To achieve the superhydrophobic state, the applied coating is modified by pulsed laser texturing and fluorosilane chemisorption. The goal of the research is to assess the coating resistance to various mechanical actions typical for outdoor service, namely, long-term contact with water, exposure to high-speed water jet, abrasive wear under the action of falling sand, and multiple detachments of an adhesive tape. It has been shown that the combined approach used for the superhydrophobization provides coatings not only with pronounced water-repellent properties but also with significant resistance to degradation. For example, the performed experiments have revealed only a slight decrease in the wettability characteristics with retaining the heterogeneous wetting regime, thereby confirming that the coating retains its functionality even under extremal mechanical impacts. The data obtained have indicated the promise of applying the developed coating in industry fields that require a combination of high wear resistance and economic efficiency.

本文研究了在EP-140环氧漆基础上制备的超疏水涂层的机械耐久性。为了达到超疏水状态,采用脉冲激光织构和氟硅烷化学吸附对涂层进行改性。研究的目的是评估涂层对户外服务中常见的各种机械作用的耐受性,即长期与水接触,暴露于高速水射流,落砂作用下的磨料磨损以及胶带的多次分离。研究表明,复合超疏水方法不仅使涂层具有明显的拒水性,而且具有显著的抗降解性。例如,所进行的实验显示,在保持非均质润湿状态的情况下,润湿性特征仅略有下降,从而证实即使在极端机械冲击下,涂层仍能保持其功能。所获得的数据表明,所开发的涂层有望应用于要求高耐磨性和经济效益相结合的工业领域。
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引用次数: 0
Green Synthesis Silver Nanoparticles Based on Polysaccharides Extract of Amanita pantherina: Electrochemical Characteristics and Antibacterial Activity 基于黑金伞多糖提取物的绿色合成纳米银:电化学特性及抗菌活性
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-28 DOI: 10.1134/S1061933X24601513
H. T. Nguyen, H. T. Nguyen, N. H. Nguyen, Q. H. Tran, P. D. N. Nguyen, P. H. Nguyen, L. M. Hoang, T. V. H. Truong, T. T. N. Truong, D. C. To

Mushroom polysaccharides are biologically active substances with strong reduction, capture, and stabilization capabilities. They have great potential in the synthesis of metal nanoparticles. This study developed a method for the electrochemical synthesis of silver nanoparticles from polysaccharide extracts (AgNP-AcPOLY) of the Amanita pantherina mushroom. Silver nanoparticles (AgNPs) were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), electrophoretic light scattering (ELS), UV-vis spectroscopic (UV-Vis), and laser diffraction spectroscopy (LDS) methods. XRD and TEM studies showed that the silver nanoparticles are spherical with a size of about 11.6 nm. The electrochemical performance of AgNP-AcPOLY nanoparticles was evaluated by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The results indicate that AgNP-AcPOLY exhibits outstanding electrochemical properties, significantly enhancing the performance of screen-printed electrodes (SPE). In addition, the antibacterial activity of nanosilver was evaluated through the methods of minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) against two strains of bacteria, Staphylococcus aureus and Escherichia coli. The results of this study indicate that the silver nanoparticles synthesized from the polysaccharide extract of A. pantherina are clean and environmentally friendly and have broad-spectrum antibacterial ability.

蘑菇多糖是一种生物活性物质,具有很强的还原、捕获和稳定能力。它们在金属纳米粒子的合成中具有很大的潜力。本研究建立了一种以黑金伞多糖提取物(AgNP-AcPOLY)为原料电化学合成纳米银的方法。采用x射线衍射(XRD)、透射电子显微镜(TEM)、电泳光散射(ELS)、紫外可见光谱(UV-vis)和激光衍射光谱(LDS)等方法对银纳米粒子(AgNPs)进行了表征。XRD和TEM研究表明,纳米银颗粒呈球形,尺寸约为11.6 nm。采用循环伏安法(CV)和电化学阻抗谱法(EIS)对AgNP-AcPOLY纳米颗粒的电化学性能进行了评价。结果表明,AgNP-AcPOLY具有优异的电化学性能,显著提高了丝网印刷电极(SPE)的性能。此外,通过最小抑菌浓度(MIC)和最小杀菌浓度(MBC)的方法,评价了纳米银对金黄色葡萄球菌和大肠杆菌两种细菌的抑菌活性。本研究结果表明,以豹子多糖提取物为原料合成的银纳米粒子清洁环保,具有广谱抗菌能力。
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引用次数: 0
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Colloid Journal
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