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Supercooling of Evaporating Water Droplets on Superhydrophobic Surfaces at Low Temperatures 低温下超疏水表面蒸发水滴的过冷
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X25600642
K. A. Emelyanenko, A. M. Emelyanenko, L. B. Boinovich

A theoretical analysis of the temperature change of an evaporating droplet on a superhydrophobic surface is performed taking into account heat fluxes of various types. The results show that the additional cooling effect of evaporation can lead to significant cooling and even crystallization of sessile droplets at positive temperatures. However, with a decrease in the ambient temperature, the efficiency of this additional cooling decreases. A method for continuous monitoring of the temperature of an evaporating droplet based on the measured thermodynamic parameters of sessile droplets is proposed. Experimental studies conducted at temperatures slightly above and below zero degrees Celsius demonstrated a satisfactory correlation between the results of the theoretical analysis and the experimentally measured supercooling of water droplets.

在考虑各种热流的情况下,对超疏水表面上蒸发液滴的温度变化进行了理论分析。结果表明,在正温度下,蒸发的附加冷却效应可导致固相液滴的显著冷却和均匀结晶。然而,随着环境温度的降低,这种额外冷却的效率会降低。提出了一种基于实测液滴热力学参数对蒸发液滴温度进行连续监测的方法。在略高于零摄氏度和低于零摄氏度的温度下进行的实验研究表明,理论分析结果与实验测量的水滴过冷之间存在令人满意的相关性。
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引用次数: 0
Convection in a Small Hemispherical Droplet of Binary Solvent: Analytical Solution and Applications 双溶剂半球形小液滴的对流:解析解及其应用
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X25600514
P. V. Lebedev-Stepanov

A new analytical solution has been proposed for the linearized Navier–Stokes equations and the diffusion equation. The solution makes it possible to relate the intensity of the Marangoni flow to the surface tension gradient in a droplet of a binary solvent and to study the relevant mass transfer and self-organization of solvates (nanoparticles, molecules, etc.). When deriving the equations, the smallness of the Reynolds number has been assumed, which corresponds to the smallness of the droplet size and the liquid flow velocity. The evaporation has been assumed to be slow sufficiently for ensuring the validity of the quasi-stationary approximation. The smallness of the Peclet number has also been accepted, which corresponds to low velocities of the convective flows as compared with the velocity of the diffusion transfer of an impurity. In this case, the Marangoni number may have a value from unity to several tens. The model has been tested using water–ethanol and octanol–hydrogen peroxide systems. Streamlines have been plotted for the convective flows, and the conditions for their appearance have been analyzed.

对线性化的Navier-Stokes方程和扩散方程提出了一种新的解析解。该溶液可以将马兰戈尼流的强度与二元溶剂液滴中的表面张力梯度联系起来,并研究相关的传质和溶剂化物(纳米颗粒、分子等)的自组织。在推导方程时,假设雷诺数较小,对应于液滴尺寸和液体流速较小。为了保证准平稳近似的有效性,我们假定蒸发足够缓慢。小的佩莱特数也已被接受,这对应于与杂质扩散转移的速度相比,对流流动的速度较低。在这种情况下,马兰戈尼数的值可以从1到几十不等。该模型已经用水-乙醇和辛醇-过氧化氢系统进行了测试。绘制了对流流的流线,并分析了对流流形成的条件。
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引用次数: 0
The Role of the Hydrate Layer in Nanobubble Stability 水合物层在纳米泡稳定性中的作用
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X25600228
Yu. K. Levin

The article considers factors determining the stability of a nanobubble with a hydrate layer having a thickness of 1 nm and a dielectric permittivity of about 3. Two stability hypotheses are compared, namely, electrostatic and mechanical (ice-effect or “electrofreezing”). In the first case, the Laplace pressure is compensated by the electrostatic pressure at the bubble boundary; in the second case, it is compensated by the effect of the electrofreezing of its Δ-layer in a high electric field. It is shown that, in salt-free water, a lower nanobubble charge is required for the formation of an ice shell than in the case of the Coulomb stabilization mechanism. In seawater, the Coulomb mechanism is, on the contrary, more efficient, because icing is counteracted by dissolved salt ions. The sizes and charges of the nanobubble are determined for both stability mechanisms.

本文考虑了决定水合物层厚度为1nm,介电常数约为3的纳米气泡稳定性的因素。比较了两种稳定性假设,即静电和机械(冰效应或“电冻结”)。在第一种情况下,拉普拉斯压力由气泡边界处的静电压力补偿;在第二种情况下,它由其Δ-layer在高电场中的电冻结效应来补偿。结果表明,与库仑稳定机制相比,在无盐水中,形成冰壳所需的纳米泡电荷更低。相反,在海水中,库仑机制更有效,因为冰被溶解的盐离子抵消了。两种稳定机制决定了纳米气泡的大小和电荷。
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引用次数: 0
Relaxation Phenomena and Electromagnetic Radiation of Oscillating Cloud Droplets 振荡云滴的弛豫现象和电磁辐射
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X25600472
A. I. Grigor’ev, N. Yu. Kolbneva, S. O. Shiryaeva

A theoretical study has been carried out for the influence of relaxation processes in water on the intensity of the electromagnetic radiation of an oscillating charged water droplet, which is assumed to be viscous and incompressible. A theoretical analytical expression of the dispersion equation has been derived for an oscillating and radiating droplet, with this expression having the form of a complex fifth-power algebraic relation. The charge relaxation in an oscillating charged water droplet affects the intensity of its electromagnetic radiation due to the conductivity of water. The highest electromagnetic radiation intensity is inherent in an ideally conducting liquid droplet. It is an order of magnitude higher than the radiation intensity of a liquid droplet with a finite conductivity. The lowest radiation intensity is inherent in a droplet of a dielectric liquid with a frozen-in charge. The surface tension relaxation affects the electromagnetic radiation of a charged oscillating droplet by disordering surface water molecules and altering the magnitude of the surface tension coefficient. The relaxation of water viscosity has no substantial effect on the damped capillary oscillations and electromagnetic radiation of cloud droplets.

本文从理论上研究了水中的弛豫过程对带电振荡水滴电磁辐射强度的影响,假设水滴是粘性不可压缩的。推导了振荡辐射液滴色散方程的理论解析表达式,该表达式具有复五次代数关系的形式。由于水的导电性,振荡带电水滴中的电荷弛豫影响其电磁辐射强度。最高的电磁辐射强度是固有的理想导电液滴。它比电导率有限的液滴的辐射强度高一个数量级。最低的辐射强度是具有冻结电荷的介电液体的液滴所固有的。表面张力弛豫通过使表面水分子无序化和改变表面张力系数的大小来影响带电振荡液滴的电磁辐射。水黏度的松弛对云滴的阻尼毛细振荡和电磁辐射没有实质性影响。
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引用次数: 0
Capillary Forces between Rough Surfaces Produced by the Micro/Nanotechnology Methods 微/纳米技术方法产生的粗糙表面之间的毛细力
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X25600484
I. V. Uvarov, V. B. Svetovoy

Capillary forces are one of the main sources of adhesion between the elements of microtechnological devices. This phenomenon manifests itself during the fabrication or operation of a device and plays a negative or positive role. The paper describes a method that makes it possible to estimate the capillary force between hydrophilic rough surfaces as a function of the relative humidity and the nominal contact area. The method is based on counting the number of roughness asperities, which are able to form capillary bridges spontaneously. To implement the method, detailed information about the roughness of the contacting surfaces is required, which can be obtained using an atomic force microscope (AFM). The idea of the method is illustrated, using as an example, deposited gold films of different thicknesses that come into contact with a smooth silicon surface. AFM scans of a surface with an area of 20 × 20 µm2 and a resolution of 4096 pixels per line are used. The developed theory reproduces the basic patterns observed experimentally. In particular, it is shown that the relative role of capillary forces decreases with an increase in the nominal contact area, and dispersion forces begin to play a major role in adhesion. The results of the work are important for the design of microsystems and for experiments measuring dispersion forces.

毛细管力是微工艺装置元件间粘附的主要来源之一。这种现象在器件的制造或运行过程中表现出来,起着消极或积极的作用。本文描述了一种方法,可以估计亲水性粗糙表面之间的毛细力作为相对湿度和标称接触面积的函数。该方法基于能够自发形成毛细管桥的粗糙度的数量。为了实现该方法,需要使用原子力显微镜(AFM)获得有关接触面粗糙度的详细信息。以不同厚度的沉积金膜与光滑的硅表面接触为例,说明了该方法的思想。AFM扫描的表面面积为20 × 20µm2,每条线的分辨率为4096像素。发展的理论再现了实验观察到的基本模式。特别是,毛细力的相对作用随着名义接触面积的增加而减小,分散力开始在粘附中起主要作用。研究结果对微系统的设计和色散力的实验测量具有重要意义。
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引用次数: 0
Theoretical and Numerical Methods for Studying Surface Phenomena and Surface Forces Editorial 研究表面现象和表面力的理论和数值方法
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-08-15 DOI: 10.1134/S1061933X2560085X
L. B. Boinovich, A. M. Emelyanenko
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引用次数: 0
On the Relation between Spontaneous Segregation of Components in Ternary Pt–Pd–Ni Nanoparticles and Stability of Core–Shell Nanostructures: Molecular Dynamics Study 三元Pt-Pd-Ni纳米粒子中组分自发分离与核壳纳米结构稳定性的关系:分子动力学研究
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600605
V. M. Samsonov, I. V. Talyzin, A. A. Romanov, V. V. Puytov, D. V. Zhigunov, A. V. Lutsai, S. A. Vasiliev, N. I. Nepsha, N. Yu. Sdobnyakov

The isothermal molecular dynamics method and the LAMMPS software package have been employed to perform a comparative study of the stability of Pd5000Ni5000@Pt5000, Pt5000Ni5000@Pd5000, and Pt5000Pd5000@Ni5000 core-shell nanostructures during gradual heating from 300 to 2200 K. It has been revealed that all three homotopes retain their core–shell morphology up to the onset of melting. However, the ternary Pt5000Ni5000@Pd5000 nanoparticles have been found to be most stable: their melting begins at a higher temperature, and they partly inherit the core–shell morphology even after the completion of melting. A conclusion has been inferred about the relation between the higher stability of PtNi@Pd nanostructures and the effect of Pd surface segregation in ternary Pt–Pd–Ni nanoparticles. In turn, the pronounced surface segregation of Pd is explained by the fact that it is this component that has the lowest specific surface energy.

采用等温分子动力学方法和LAMMPS软件包对Pd5000Ni5000@Pt5000、Pt5000Ni5000@Pd5000和Pt5000Pd5000@Ni5000核壳纳米结构在300 ~ 2200 K逐渐加热过程中的稳定性进行了比较研究。这已经揭示了所有三个同形保持其核壳形态,直到开始融化。然而,三元Pt5000Ni5000@Pd5000纳米颗粒被发现是最稳定的:它们的熔化在较高的温度下开始,即使在熔化完成后,它们也部分继承了核壳形态。推断出PtNi@Pd纳米结构的高稳定性与三元Pt-Pd-Ni纳米颗粒中Pd表面偏析的影响之间的关系。反过来,钯明显的表面偏析是由这个成分具有最低的比表面能这一事实来解释的。
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引用次数: 0
Numerical Simulation of Stationary Nucleation in a Wide Range of Supersaturations Taking into Account Thermal Effects 考虑热效应的大过饱和范围内固定成核的数值模拟
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600496
E. E. Perevoshchikov, D. I. Zhukhovitskii

The molecular dynamics method is employed to solve the problem of stationary vapor–liquid nucleation at a constant number of particles interacting via the Lennard-Jones potential for the cases of both isothermal and nonisothermal nucleation in a wide range of vapor supersaturations. A special simulation approach is used, in which clusters that have reached a certain size are removed from the system, while particles composing them are returned as monomers. The temperature distribution over cluster sizes is determined. It is found that the temperature somewhat decreases beginning from its value corresponding to monomers; however, as the cluster size approaches a critical value, it returns to its initial level and, then, rapidly increases. The temperature distribution over cluster sizes governs the distribution of their number densities and controls vapor nonideality, thus significantly affecting the nucleation rate. It is shown that the knowledge of the cluster temperature is of critical importance for analytical models, as it enables one to accurately determine the vapor supersaturation and the actual nonisothermal nucleation rate. The nucleation rates and critical cluster sizes determined for the isothermal and nonisothermal cases have shown satisfactory agreement with a theoretical model predicting a decrease in the nucleation rate under the nonisothermal conditions.

采用分子动力学方法,求解了大范围蒸汽过饱和条件下等温成核和非等温成核两种情况下,定数量粒子通过Lennard-Jones势相互作用时的定数量汽液成核问题。采用了一种特殊的模拟方法,将达到一定尺寸的簇从系统中移除,而组成它们的颗粒作为单体返回。确定了簇大小上的温度分布。发现温度从单体对应的温度开始有所降低;然而,当集群大小接近一个临界值时,它会返回到初始水平,然后迅速增加。温度随团簇大小的分布决定了团簇数密度的分布,控制了蒸汽的非理想性,从而显著影响成核速率。结果表明,团簇温度的知识对分析模型至关重要,因为它使人们能够准确地确定蒸汽过饱和度和实际的非等温成核速率。在等温和非等温条件下测定的成核速率和临界簇大小与预测非等温条件下成核速率降低的理论模型一致。
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引用次数: 0
A Study of Electroconvection during Uniform Flow of an Electrolyte Solution through an Ion-Selective Region 电解质溶液在离子选择区均匀流动时的电对流研究
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X25600551
G. S. Ganchenko, V. S. Shelistov, I. I. Olberg, I. V. Morshneva, E. A. Demekhin

This paper presents the results of theoretical studying electroconvection emergence and development near an ion-selective region during uniform flow of an electrolyte solution through this region. The analysis of the linear stability of the stationary solution of the problem has made it possible to determine the critical electric potential difference that causes the electrokinetic instability as a function of the external flow velocity. The two-dimensional numerical simulation has revealed the peculiarities of the nonlinear electroconvection regimes. The research has shown the stabilizing effect of the external flow: the electroconvection begins at higher potential differences, whereas its regimes change each other faster with increasing potential difference. Understanding of these effects is useful for practical applications, such as the development of systems for analyte preconcentration in microlaboratories before the chemical analysis of biological liquids.

本文介绍了电解质溶液在离子选择区均匀流动过程中电对流在该区域附近的发生和发展的理论研究结果。通过分析该问题的定解的线性稳定性,可以确定引起电动不稳定性的临界电位差作为外部流速的函数。二维数值模拟揭示了非线性电对流的特性。研究表明了外流的稳定作用:电对流开始于较大的电位差,而随着电位差的增加,其状态变化更快。了解这些效应对实际应用是有用的,例如在生物液体化学分析之前,在微实验室中开发分析物预浓缩系统。
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引用次数: 0
Simulating the Influence of Convective Flows through an Ion-Selective Region on Electric Current Regimes in Binary Electrolyte Solutions 模拟通过离子选择区域的对流流动对二元电解质溶液电流状态的影响
IF 1.1 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-07-10 DOI: 10.1134/S1061933X2560040X
G. S. Ganchenko, V. S. Shelistov, I. I. Olberg, I. V. Morshneva, E. A. Demekhin

The paper presents the results of the numerical simulation performed in a unidimensional formulation for a cell containing an ion-selective region. The employed mathematical model takes into account the nonideal selectivity of the ion-exchange region and the presence of a convective electrolyte solution flow through it. The flow has been found to influence the selectivity of the ion-exchange region. The electric current through the system may be both enhanced and diminished depending on a realized current regime, namely, underlimiting or limiting. The understanding of this effect will be useful for practical applications, such as analyte preconcentration systems in microlaboratories for chemical analysis of biological liquids and electrobaromembrane separation systems.

本文介绍了在含有离子选择区域的细胞中以一维形式进行数值模拟的结果。所采用的数学模型考虑了离子交换区的非理想选择性和对流电解质溶液流过该区域的存在。发现流动对离子交换区的选择性有影响。通过系统的电流可以根据实现的电流状态增强或减弱,即欠限或限流。对这种效应的理解将有助于实际应用,例如用于生物液体化学分析的微实验室分析物预浓缩系统和电气膜分离系统。
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引用次数: 0
期刊
Colloid Journal
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