发布求助
文献互助 智能选刊 最新文献

Russian Journal of Physical Chemistry B最新文献

筛选
英文 中文
Orientational Isomerism In Water Clusters (H2O)n, n = 2–5, Corresponding to the Complete Set of Oriented Graphs 水簇（H2O）n, n = 2-5中的取向异构，对应于取向图的完备集
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124701082
E. A. Shirokova, S. K. Ignatov
{"title":"Orientational Isomerism In Water Clusters (H2O)n, n = 2–5, Corresponding to the Complete Set of Oriented Graphs","authors":"E. A. Shirokova,&nbsp;S. K. Ignatov","doi":"10.1134/S1990793124701082","DOIUrl":"10.1134/S1990793124701082","url":null,"abstract":"<p>On the basis of the quantum chemical calculation X3LYP/6-311G++(2<i>d</i>, 2<i>p</i>) for orientational isomers of water clusters (H<sub>2</sub>O)<sub><i>n</i></sub>, <i>n</i> = 2–5, corresponding to the full set of oriented graphs with the number of vertices ranging from 2 to 5, the thermodynamic functions and cluster concentrations in the gas phase are determined. It is found that for a correct assessment of gas-phase concentrations it is necessary to take into account the phenomenon of orientational isomerism of water clusters. For the full set of orientational isomers, the concentration of water clusters in the gas phase in saturated vapor under standard conditions turns out to be 1–2 orders of magnitude higher than the concentrations calculated only for the lowest energy structures.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1263 - 1274"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811018","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
Reactions of Fluorine Atoms with Benzene, Fluorobenzene, and Chlorobenzene 氟原子与苯、氟苯和氯苯的反应
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124701094
E. S. Vasiliev, I. I. Morozov, N. D. Volkov, S. V. Savilov, O. S. Morozova, N. I. Butkovskaya, P. S. Khomyakova
{"title":"Reactions of Fluorine Atoms with Benzene, Fluorobenzene, and Chlorobenzene","authors":"E. S. Vasiliev,&nbsp;I. I. Morozov,&nbsp;N. D. Volkov,&nbsp;S. V. Savilov,&nbsp;O. S. Morozova,&nbsp;N. I. Butkovskaya,&nbsp;P. S. Khomyakova","doi":"10.1134/S1990793124701094","DOIUrl":"10.1134/S1990793124701094","url":null,"abstract":"<p>Benzene and its derivatives are extremely important substances in modern chemical technologies. However, emissions of these substances have an extremely negative impact on the atmosphere and ecology. Benzene is a substance of the second class of danger and its effect on the human body is fraught with serious consequences. In the event of man-made disasters, it is an urgent task to convert benzene into less toxic substances. In this study, using a low-pressure flow reactor, the kinetic patterns of the reactions of atomic fluorine with benzene, fluorobenzene, and chlorobenzene at a temperature of <i>T</i> = 293 K and a pressure of 0.8–1.3 Torr are established. The concentrations of reagents and products are controlled by molecular beam mass spectrometry. To determine the reaction rate constants, the method of competing reactions is used. The reaction of fluorine atoms with cyclohexane is chosen as a competitor. As a result of the analysis using the experimental and published data, the following values of the rate constants of the studied reactions are obtained.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1309 - 1319"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811237","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
On the Mechanism of Nitrate Formation in Atmospheric Haze Particles 大气霾颗粒中硝酸盐形成机理研究
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124701148
G. B. Pronchev, A. N. Yermakov
{"title":"On the Mechanism of Nitrate Formation in Atmospheric Haze Particles","authors":"G. B. Pronchev,&nbsp;A. N. Yermakov","doi":"10.1134/S1990793124701148","DOIUrl":"10.1134/S1990793124701148","url":null,"abstract":"<p>This paper considers the data on monitoring the ionic composition of aerosol particles and small gas components in the surface atmosphere of Antwerp and Beijing in winter. According to the results of their comparison, it is shown that the rapid accumulation of <span>({text{NO}}_{3}^{ - })</span> in haze particles over Beijing is triggered by a liquid-phase catalytic reaction of sulfate formation involving Mn/Fe ions, which proceeds in the fast degenerate branched mode. The cycle of these transformations is accompanied by the associated production of nitrate radicals in the particles. Their release into the gas phase leads to an increase in the concentration of N<sub>2</sub>O<sub>5</sub> molecules and a rapid accumulation of nitrates. The coupling of the catalytic (petrochemical) conversion of sulfur dioxide into sulfates and the nitrate production process over Beijing thus plays a crucial role in the formation of the mineral composition of haze particles in the atmosphere.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1422 - 1429"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810818","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
Interaction of Sodium Atoms with Molecular Nitrogen in the Upper Atmosphere of the Earth 地球上层大气中钠原子与分子氮的相互作用
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S199079312470115X
S. Y. Umanskii, S. O. Adamson, A. S. Vetchinkin, G. V. Golubkov, M. A. Deminskii, O. A. Olkhov, I. G. Stepanov, Y. A. Chaikina, A. I. Shushin, M. G. Golubkov
{"title":"Interaction of Sodium Atoms with Molecular Nitrogen in the Upper Atmosphere of the Earth","authors":"S. Y. Umanskii,&nbsp;S. O. Adamson,&nbsp;A. S. Vetchinkin,&nbsp;G. V. Golubkov,&nbsp;M. A. Deminskii,&nbsp;O. A. Olkhov,&nbsp;I. G. Stepanov,&nbsp;Y. A. Chaikina,&nbsp;A. I. Shushin,&nbsp;M. G. Golubkov","doi":"10.1134/S199079312470115X","DOIUrl":"10.1134/S199079312470115X","url":null,"abstract":"<p>In recent years numerous satellite data on the yellow glow of the sodium layer (located at an altitude of 85–95 km from the Earth’s surface) have become available. Studies of optical activity at sodium D‑line frequencies are necessary for a better understanding of the plasma-chemical processes occurring in the mesosphere. It should be taken into account that these processes occur in a neutral environment, where molecular nitrogen is the main component. In this study the analytical numerical expressions for the elements of a 3 × 3 matrix of the interaction between Na(<sup>2</sup><i>P</i><sub><i>j</i></sub>) and N<sub>2</sub>(<span>(X{}^{1}Sigma _{g}^{ + })</span>) and the interaction potential between Na(<sup>2</sup><i>S</i><sub>1/2</sub>) and N<sub>2</sub>(<span>(X{}^{1}Sigma _{g}^{ + })</span>) are obtained at medium and large interparticle distances that determine the collisional broadening of the radiation lines. The exchange, quadrupole–quadrupole, dispersion, and spin–orbit interactions are taken into account. The exchange interaction between the valence Na electron and N<sub>2</sub>(<span>(X{}^{1}Sigma _{g}^{ + })</span>) molecule is described by the local Hellman pseudopotential. The effect of the overlap between Na(<sup>2</sup><i>S</i><sub>1/2</sub>,<sup>2</sup><i>P</i><sub><i>j</i></sub>) and N<sub>2</sub>(<span>(X{}^{1}Sigma _{g}^{ + })</span>) electron densities is taken into account in the evaluation of long-range quadrupole–quadrupole and dispersion interactions.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1430 - 1441"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810819","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
Three-Dimensional Mathematical Simulation of Two-Phase Detonation in the System of a Gaseous Oxidizer with Fuel Droplets 含燃料液滴的气态氧化剂系统两相爆轰的三维数学模拟
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124701112
V. S. Ivanov, S. M. Frolov
{"title":"Three-Dimensional Mathematical Simulation of Two-Phase Detonation in the System of a Gaseous Oxidizer with Fuel Droplets","authors":"V. S. Ivanov,&nbsp;S. M. Frolov","doi":"10.1134/S1990793124701112","DOIUrl":"10.1134/S1990793124701112","url":null,"abstract":"<p>The results of a three-dimensional numerical study of the propagation of detonation waves in a two-phase mixture of liquid isooctane with air are presented. The detonation calculation technique is based on Navier–Stokes equations with the simulation of the liquid phase evolution using the Lagrangian formalism. Numerical models consider droplet movement, evaporation, and breakup, as well as finite-rate mixing and chemical transformations. The reliability of the method is confirmed by a comparison of the predicted and measured velocities of heterogeneous detonation in a vertical channel of a square cross section. The influence of the prehistory on the formation of a two-phase detonable mixture in the channel on the propagation velocity and structure of detonation waves is considered. The influence of droplet coagulation is also taken into account. New data on the spatiotemporal structure of a two-phase detonation wave are obtained.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1341 - 1349"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811235","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
Oxidation of the Styrene Epoxide–Hydroquinone–Copper(II) Chloride Ternary System in a Methanol Solution 环氧苯乙烯-对苯二酚-氯化铜三元体系在甲醇溶液中的氧化反应
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S199079312470091X
L. V. Petrov, V. M. Solyanikov
{"title":"Oxidation of the Styrene Epoxide–Hydroquinone–Copper(II) Chloride Ternary System in a Methanol Solution","authors":"L. V. Petrov,&nbsp;V. M. Solyanikov","doi":"10.1134/S199079312470091X","DOIUrl":"10.1134/S199079312470091X","url":null,"abstract":"<p>The consumption of styrene epoxide (SE) and hydroquinone (HQ) in a ternary system (TrS) (SE–HQ–Cu(II)) in an oxygen atmosphere in a methanol solution is studied. The oxygen uptake by the SE–HQ–CuCl<sub>2</sub> Trs is studied manometrically. The expression of velocity in terms of the reagent concentrations <i>V</i> = <i>k</i>[Cu(II)]<sup>1</sup>[HQ]<sup>0</sup>[SE]<sup>0</sup> and the effective oxidation rate constant <i>k</i> = 1.82 × 10<sup>5</sup>exp(–40 kJ mol<sup>–1</sup>/<i>RT</i>) s<sup>–1</sup> is obtained in the temperature range 308–323 K. The oxidation mechanism of the TrS is discussed.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1294 - 1300"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811284","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
Erratum to: Statistical Analysis of Flux Enhancements of Energetic Electrons in the Low-Latitudinal Ionosphere According to the Data from the NOAA/POES and MetOp Satellites from 1998 to 2022 基于1998 - 2022年NOAA/POES和MetOp卫星数据的低纬电离层高能电子通量增强的统计分析
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124340050
M. G. Golubkov, A. V. Suvorova, A. V. Dmitriev, G. V. Golubkov
{"title":"Erratum to: Statistical Analysis of Flux Enhancements of Energetic Electrons in the Low-Latitudinal Ionosphere According to the Data from the NOAA/POES and MetOp Satellites from 1998 to 2022","authors":"M. G. Golubkov,&nbsp;A. V. Suvorova,&nbsp;A. V. Dmitriev,&nbsp;G. V. Golubkov","doi":"10.1134/S1990793124340050","DOIUrl":"10.1134/S1990793124340050","url":null,"abstract":"","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1449 - 1449"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1134/S1990793124340050.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Accumulation of Disordered Perturbations of Density, Velocity, and Pressure in an Unstable System 不稳定系统中密度、速度和压力的无序扰动积累
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124700957
I. V. Lebed
{"title":"Accumulation of Disordered Perturbations of Density, Velocity, and Pressure in an Unstable System","authors":"I. V. Lebed","doi":"10.1134/S1990793124700957","DOIUrl":"10.1134/S1990793124700957","url":null,"abstract":"<p>A numerical study of the behavior of disordered perturbations of density, velocity, and pressure in a problem of the flow around a stationary solid sphere is carried out. Regular equations of multimoment hydrodynamics supplemented with stochastic components are used for the study. The statistical properties of stochastic components are identified with the statistical properties of disordered perturbations arising in the incoming flow due to an external influence. It is found that the loss of stability is accompanied by the accumulation of disordered perturbations of density, velocity, and pressure in the wake behind the sphere. It is shown that high values of the turbulence coefficient provide a significant accumulation of disordered perturbations, which leads to a strong distortion of the laminar flow pattern. It is found that high values of the pressure and density pulsation coefficients provide an equally significant accumulation of disordered perturbations in the pressure and density.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1396 - 1404"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810968","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
Erratum to: Propargyl-Substituted Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, Ballistic Efficiency 丙炔取代的呋喃氮杂类：合成、结构、生成焓、弹道效率
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124340013
D. B. Lempert, E. L. Ignatieva, A. I. Stepanov, D. V. Dashko, A. I. Kazakov, A. V. Nabatova, G. V. Shilov, G. V. Lagodzinskaya, D. V. Korchagin, S. M. Aldoshin
{"title":"Erratum to: Propargyl-Substituted Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, Ballistic Efficiency","authors":"D. B. Lempert,&nbsp;E. L. Ignatieva,&nbsp;A. I. Stepanov,&nbsp;D. V. Dashko,&nbsp;A. I. Kazakov,&nbsp;A. V. Nabatova,&nbsp;G. V. Shilov,&nbsp;G. V. Lagodzinskaya,&nbsp;D. V. Korchagin,&nbsp;S. M. Aldoshin","doi":"10.1134/S1990793124340013","DOIUrl":"10.1134/S1990793124340013","url":null,"abstract":"","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1445 - 1445"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1134/S1990793124340013.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Erratum to: Magneto-Biological Physics 《磁生物物理学》的勘误
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-12-11 DOI: 10.1134/S1990793124340025
A. L. Buchachenko
{"title":"Erratum to: Magneto-Biological Physics","authors":"A. L. Buchachenko","doi":"10.1134/S1990793124340025","DOIUrl":"10.1134/S1990793124340025","url":null,"abstract":"","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"18 5","pages":"1446 - 1446"},"PeriodicalIF":1.4,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1134/S1990793124340025.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信