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Russian Journal of Physical Chemistry A最新文献

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Molecular Dynamics Study of the Coalescence Characteristics of Water-in-Oil Emulsions under the Action of Electric Field 电场作用下油包水乳剂聚结特性的分子动力学研究
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703540
Yancheng Tao, Yeqi Yan, Zexin Liu, Chuanke Liang, Haixia Wang, Tao Li
{"title":"Molecular Dynamics Study of the Coalescence Characteristics of Water-in-Oil Emulsions under the Action of Electric Field","authors":"Yancheng Tao,&nbsp;Yeqi Yan,&nbsp;Zexin Liu,&nbsp;Chuanke Liang,&nbsp;Haixia Wang,&nbsp;Tao Li","doi":"10.1134/S0036024424703540","DOIUrl":"10.1134/S0036024424703540","url":null,"abstract":"<p>Using molecular dynamics simulations, this study investigates the dynamic coalescence of water droplets in oil-in-water emulsions under the influence of electric fields, from a microscopic perspective. The effects of electric field strength, field type, droplet position, and ion concentration on coalescence were systematically analyzed. The results indicate that, under a direct current (DC) electric field, the condition of <i>E</i> = 0.03 V/Å is the most optimal for droplet coalescence among all tested DC field conditions. Under a rectangular alternating current (AC) electric field, the condition of <i>E</i> = 0.045 V/Å–80 ps yielded the best coalescence performance. Compared to the DC field, the rectangular AC field facilitates coalescence between droplets positioned at greater distances. Defining the contact time of droplets with an ion concentration of 40 N as <i>t</i><sub>40N</sub>, the corresponding contact times for other concentrations are denoted as <i>t</i><sub>0N</sub>, <i>t</i><sub>20Ν</sub>, and <i>t</i><sub>60N</sub>. The contact times under different ion concentrations follow the order: in the DC field, <i>t</i><sub>40N</sub> &lt; <i>t</i><sub>20N</sub> &lt; <i>t</i><sub>60N</sub> &lt; <i>t</i><sub>0N</sub>, while in the rectangular AC field, <i>t</i><sub>20N</sub> &lt; <i>t</i><sub>40N</sub> &lt; <i>t</i><sub>0N</sub> &lt; <i>t</i><sub>60N</sub>. For the same ion concentration, the time required to complete coalescence in the rectangular AC field is longer than in the DC field.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"498 - 512"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Features of Corrosion of Low-Carbon Steel in a Flow of Acid Solutions of Various Anionic Composition Containing Iron(III) Salts 低碳钢在含铁（III）盐的各种阴离子组成的酸溶液中的腐蚀特征
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703461
Ya. G. Avdeev, A. V. Panova, T. E. Andreeva
{"title":"Features of Corrosion of Low-Carbon Steel in a Flow of Acid Solutions of Various Anionic Composition Containing Iron(III) Salts","authors":"Ya. G. Avdeev,&nbsp;A. V. Panova,&nbsp;T. E. Andreeva","doi":"10.1134/S0036024424703461","DOIUrl":"10.1134/S0036024424703461","url":null,"abstract":"<p>The corrosion of low-carbon steel in HCl, HCl + H<sub>3</sub>PO<sub>4</sub>, and H<sub>3</sub>PO<sub>4</sub> solutions containing Fe(III) salts was studied. In the studied systems, steel corrosion occurs as a result of its reaction with an acid solution and Fe(III) salt. In the discussed environments, partial reactions of anodic ionization of iron and cathodic reduction of H<sup>+</sup> and Fe(III) cations are realized on steel. The first two reactions are characterized by kinetic control, and the last one occurs in diffusion mode. The accelerating effect of Fe(III) cations on steel corrosion in the studied environments is mainly due to the reduction of Fe(III). The binding of Fe(III) cations into complex compounds with anions of the corrosive environment reduces the values of their diffusion coefficients (<i>D</i><sub>Fe(III)</sub>). The value of <i>D</i><sub>Fe(III)</sub> is maximum in HCl solution and minimum in H<sub>3</sub>PO<sub>4</sub> solution. The rate of the partial cathodic reaction of Fe(III) reduction is determined by the value of <i>D</i><sub>Fe(III)</sub>. As a result, the accelerating effect of Fe(III) on the cathodic reaction and, as a consequence, the general corrosion of steel in a flow of an aggressive environment is the most significant in a solution of HCl and is the least in a solution of H<sub>3</sub>PO<sub>4</sub>.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"424 - 437"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Basic Study of Tritium Behavior in Molten FLiBe 氚在熔融FLiBe中的基本行为研究
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703473
A. E. Galashev, A. F. Anisimov
{"title":"A Basic Study of Tritium Behavior in Molten FLiBe","authors":"A. E. Galashev,&nbsp;A. F. Anisimov","doi":"10.1134/S0036024424703473","DOIUrl":"10.1134/S0036024424703473","url":null,"abstract":"<p>The behavior of tritium in molten FLiBe, including in the presence of He, at LSR operating temperatures was investigated. It was established that the presence of helium in the fluoride melt does not significantly change the partial radial distribution function of tritium-fluorine. In the salt melt, there is a preferential binding of tritium with one or two fluorine ions, when the bond length between tritium and fluorine is limited by the radius of the first coordination sphere. It is shown that at a temperature of 1073 K tritium more often binds to one fluorine ion, but in the presence of He this advantage is not obvious and the change in tritium coordination is enhanced. Lower temperatures (<i>T</i> ≤ 973 K) promote <sup>3</sup>H binding with two fluorine ions, but the presence of He, which creates a temperature-increasing effect, can disrupt this trend. It was concluded that tritium very rarely forms bonds simultaneously with three fluorine ions. The form of tritium binding by fluorine influences the kinetic characteristics of tritium in molten FLiBe.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"438 - 445"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adsorption of Molybdenum(VI) and Rhenium(VII) on Mechanoactivated Graphite 机械活化石墨对钼（VI）和铼（VII）的吸附
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703618
A. D. Korobitsyna, N. V. Pechishcheva, E. Yu. Konysheva, K. Yu. Shunyaev
{"title":"Adsorption of Molybdenum(VI) and Rhenium(VII) on Mechanoactivated Graphite","authors":"A. D. Korobitsyna,&nbsp;N. V. Pechishcheva,&nbsp;E. Yu. Konysheva,&nbsp;K. Yu. Shunyaev","doi":"10.1134/S0036024424703618","DOIUrl":"10.1134/S0036024424703618","url":null,"abstract":"<p>For the first time, the sorption properties of mechanically activated graphite in relation to molybdenum and rhenium were studied. Optimal conditions have been found under which the separation of metals is possible, that is, the adsorption of molybdenum up to 95% is achieved with a rhenium adsorption of 3%: nitric acid solution, pH 3 in the presence of 50 vol % ethanol, and stirring for 60 min. The maximum sorption capacity of the sorbent with respect to Mo(VI) according to the Langmuir model was 115 mg/g. The adsorption followed a pseudo-second-order kinetics model. The sample after molybdenum adsorption was characterized by XPS, X-ray phase analysis, and scanning electron microscopy. As a result of mechanical activation, there was a decrease in the average size of graphite crystallites, an increase in the distance between layers, and a change in the surface state of carbon.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"570 - 580"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heat Capacity and Thermodynamic Functions of Lutetium Titanate Lu2Ti2O7 钛酸镥Lu2Ti2O7的热容量和热力学函数
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703448
P. G. Gagarin, A. V. Guskov, V. N. Guskov, A. V. Khoroshilov, K. S. Gavrichev
{"title":"Heat Capacity and Thermodynamic Functions of Lutetium Titanate Lu2Ti2O7","authors":"P. G. Gagarin,&nbsp;A. V. Guskov,&nbsp;V. N. Guskov,&nbsp;A. V. Khoroshilov,&nbsp;K. S. Gavrichev","doi":"10.1134/S0036024424703448","DOIUrl":"10.1134/S0036024424703448","url":null,"abstract":"<p>The heat capacity of lutetium titanate was measured in the temperature range 2–1869 K, and the smoothed temperature dependences of heat capacity, entropy, enthalpy changes, and reduced Gibbs energy were calculated. The presence of a gentle anomaly in the heat capacity of Lu<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> in the low-temperature range was confirmed, and its parameters were determined. Based on the calculated values of the Gibbs energy the thermodynamic stability of Lu<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> in the studied temperature range was estimated.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"409 - 419"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photocatalytic Oxidation of Glucose to Arabinose and Formic Acid by Bi/Bi2MoO6 Photocatalysts Bi/Bi2MoO6光催化剂催化葡萄糖氧化制阿拉伯糖和甲酸
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703503
Hui Pan, Quanquan Zhang, Ningning Xu, Yu Zhang, Jiahui Yuan, Hongxue Xie
{"title":"Photocatalytic Oxidation of Glucose to Arabinose and Formic Acid by Bi/Bi2MoO6 Photocatalysts","authors":"Hui Pan,&nbsp;Quanquan Zhang,&nbsp;Ningning Xu,&nbsp;Yu Zhang,&nbsp;Jiahui Yuan,&nbsp;Hongxue Xie","doi":"10.1134/S0036024424703503","DOIUrl":"10.1134/S0036024424703503","url":null,"abstract":"<p>To develop photocatalytic oxidation of glucose to value-added chemicals, Bi<sub>2</sub>MoO<sub>6</sub> incorporation with Bi has been prepared for conversion of glucose in water. The effects of Bi content and photocatalytic reaction conditions on the conversion of glucose has been further explored. The results indicated that arabinose and formic acid were the main products for photocatalytic glucose oxidation over the Bi/Bi<sub>2</sub>MoO<sub>6</sub> nanohybrid. Compared to pure Bi<sub>2</sub>MoO<sub>6</sub>, the Bi/Bi<sub>2</sub>MoO<sub>6</sub> nanohybrid exhibited superior photocatalytic activity and an increased total selectivity. Under optimal reaction conditions, the total selectivity of arabinose and formic acid reached up to 97% with 66% glucose conversion for Bi/Bi<sub>2</sub>MoO<sub>6</sub> nanohybrid. The introduction of Bi not only significantly enhanced the generation of active species, but also effectively improved the adsorption capacity of glucose. Electron spin resonance spectra and scavenger experiments demonstrated that superoxide radicals and singlet oxygen played a crucial role in the photocatalytic oxidation of glucose.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"462 - 470"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modifying a Setup for Investigating the Fluorescence and Phosphorescence Excitation Spectra of Polyaromatic Hydrocarbon Molecules Cooled in a Jet of Inert Gas 改进用于研究在惰性气体射流中冷却的多芳烃分子的荧光和磷光激发光谱的装置
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703680
R. V. Terentyev, D. V. Maslov, N. N. Yakovlev, A. V. Stolyarov, I. A. Godunov
{"title":"Modifying a Setup for Investigating the Fluorescence and Phosphorescence Excitation Spectra of Polyaromatic Hydrocarbon Molecules Cooled in a Jet of Inert Gas","authors":"R. V. Terentyev,&nbsp;D. V. Maslov,&nbsp;N. N. Yakovlev,&nbsp;A. V. Stolyarov,&nbsp;I. A. Godunov","doi":"10.1134/S0036024424703680","DOIUrl":"10.1134/S0036024424703680","url":null,"abstract":"<p>The authors describe an experimental setup for obtaining fluorescence excitation spectra of molecules cooled in a supersonic jet of inert gas. The setup is used to record the fluorescence excitation spectra of substituted aldehyde molecules cooled in the supersonic jet. It is concluded that the spectra obtained using the setup have a better signal-to-noise ratio than those known from the literature. Further modifications to the setup are considered for recording the excitation spectra of sensitized phosphorescence and phosphorescence of low-volatile molecules of polyaromatic hydrocarbons.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"629 - 633"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Low-Temperature Synthesis of Highly Ordered Lithium-Cobalt Double Phosphates with Improved Electrochemical Characteristics in Lithium Nitrate Melt 硝酸锂熔体中电化学性能改善的高有序锂钴双磷酸盐的低温合成
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703667
N. V. Zharov, M. V. Maslova, V. V. Semushin
{"title":"Low-Temperature Synthesis of Highly Ordered Lithium-Cobalt Double Phosphates with Improved Electrochemical Characteristics in Lithium Nitrate Melt","authors":"N. V. Zharov,&nbsp;M. V. Maslova,&nbsp;V. V. Semushin","doi":"10.1134/S0036024424703667","DOIUrl":"10.1134/S0036024424703667","url":null,"abstract":"<p>A low-temperature method for obtaining highly dispersed powders of lithium-cobalt double phosphates with a highly ordered crystal lattice and a given morphology is proposed. It is shown that the electrochemical performance and cyclic resource of the obtained compounds exceed the corresponding characteristics of known analogs. The proposed method can be extended to obtain a wide range of electrode materials for lithium-ion batteries with an olivine structure.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"612 - 619"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carbon Nanomaterials. Electronic Paramagnetic Resonance 碳纳米材料。电子顺磁共振
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S0036024424703424
A. N. Ul’yanov, N. N. Kuznetsova, S. V. Savilov
{"title":"Carbon Nanomaterials. Electronic Paramagnetic Resonance","authors":"A. N. Ul’yanov,&nbsp;N. N. Kuznetsova,&nbsp;S. V. Savilov","doi":"10.1134/S0036024424703424","DOIUrl":"10.1134/S0036024424703424","url":null,"abstract":"<p>Electronic paramagnetic resonance (EPR) is an instrumental research method widely used in chemistry, physics, biology, and materials science, which can be successfully applied to characterize the electronic structure of carbon nanomaterials. This paper presents a brief overview of studies of various types of carbon nanostructures (CNSs) using the EPR method, including measurement techniques, principles of spectral data processing and interpretation, and experimental results. The relationship between the properties of CNSs and the nearest environment of paramagnetic centers, as well as the oxidation and degradation of materials over time, was analyzed.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"385 - 391"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adhesion in Two-Phase Melts of Alkali Metal Halides 碱金属卤化物两相熔体的附着力
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-04-14 DOI: 10.1134/S003602442470362X
V. P. Stepanov
{"title":"Adhesion in Two-Phase Melts of Alkali Metal Halides","authors":"V. P. Stepanov","doi":"10.1134/S003602442470362X","DOIUrl":"10.1134/S003602442470362X","url":null,"abstract":"<p>The article is devoted to the analysis of adhesive interaction of phases in two-phase melts LiF + KBr, LiF + CsCl, LiF + RbBr, LiF + KI, LiF + CsBr, LiF + RbI, LiF + CsI. It was established that the adhesion of phases increases with increasing temperature as a result of the superposition of the thermal motion of ions and changes in the compositions of the coexisting phases. The adhesion of phases decreases when the concentration range of immiscibility of components becomes wider. At the same temperature, phase adhesion increases with decreasing difference in the sizes of the mixed ions.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"581 - 585"},"PeriodicalIF":0.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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