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Disjoining Pressure in Thin Spherical Liquid Films and Vapor Layers with Molecular Correlations Included 包括分子相关性在内的球形液体薄膜和蒸汽层中的分离压力
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-06-28 DOI: 10.1134/S0012501623600092
A. K. Shchekin, L. A. Gosteva
{"title":"Disjoining Pressure in Thin Spherical Liquid Films and Vapor Layers with Molecular Correlations Included","authors":"A. K. Shchekin,&nbsp;L. A. Gosteva","doi":"10.1134/S0012501623600092","DOIUrl":"10.1134/S0012501623600092","url":null,"abstract":"<p>Disjoining pressures in thin liquid films around nanosized wettable spherical particles and in thin vapor layers around non-wettable particles were calculated as functions of the lyophility degree, film thickness, and particle size on the basis of the expression for the grand thermodynamic potential as a molecular density functional. A characteristic feature of this approach is the full consideration of hard-sphere molecular correlations using the fundamental measure theory in the density functional theory (DFT) and calculation of the complete dependence of the grand thermodynamic potential of the system on the stable droplet or bubble size. Although the newly calculated dependences of the disjoining pressure are in a qualitative agreement with those found using a simpler gradient version of the molecular density functional, the results of the two methods considerably differ quantitatively. It was confirmed that the disjoining pressure in a liquid film around a nanosized lyophilic particle increases with increasing particle size and lyophilicity.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"509 2","pages":"64 - 70"},"PeriodicalIF":0.9,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5090533","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
Aqueous-Phase Hydrogenation of Furfural in the Presence of Supported Metal Catalysts of Different Types. A Review 不同类型负载金属催化剂存在下糠醛的水相加氢反应。回顾
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-06-28 DOI: 10.1134/S0012501623600109
R. M. Mironenko, O. B. Belskaya,  V. A. Likholobov
{"title":"Aqueous-Phase Hydrogenation of Furfural in the Presence of Supported Metal Catalysts of Different Types. A Review","authors":"R. M. Mironenko,&nbsp;O. B. Belskaya,&nbsp; V. A. Likholobov","doi":"10.1134/S0012501623600109","DOIUrl":"10.1134/S0012501623600109","url":null,"abstract":"<p>Hydrogenation of furfural in the presence of heterogeneous catalysts has recently attracted increased interest as a method for the synthesis of oxygen-containing compounds of various classes based on renewable raw materials. The composition of the catalyst and the conditions of its preparation essentially determine which of the routes of reductive conversions during the hydrogenation of furfural will be predominant. The present review summarizes and examines methods for controlling the physicochemical and functional properties of Pd-, Ni-, Co-, and Cu-containing catalytic compositions, as the most common and practically significant in the hydrogenation of furfural. The influence of the nature of the support, the composition of the active metal precursor, and the conditions for the formation of metal nanoparticles on the activity and selectivity of supported catalysts in the reductive conversions of furfural under aqueous-phase hydrogenation conditions has been demonstrated by numerous examples. Promising directions of research on the development of methods for the synthesis of efficient catalysts with controlled functional properties in the hydrogenation of furfural are considered. The bibliography includes 127 references.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"509 1","pages":"33 - 50"},"PeriodicalIF":0.9,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5088971","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
Composite Materials Based on MOF ZIF-8 and Ionic Liquid [BMIm]+[BF4]−: An EPR Study Using Nitroxide Spin Probes 基于MOF ZIF-8和离子液体[BMIm]+[BF4]−的复合材料:基于氮氧化物自旋探针的EPR研究
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-06-28 DOI: 10.1134/S0012501623700094
N. A. Kudryavyh, M. Yu. Ivanov, A. S. Poryvaev, D. M. Polyukhov,  R. Z. Sagdeev, M. V. Fedin
{"title":"Composite Materials Based on MOF ZIF-8 and Ionic Liquid [BMIm]+[BF4]−: An EPR Study Using Nitroxide Spin Probes","authors":"N. A. Kudryavyh,&nbsp;M. Yu. Ivanov,&nbsp;A. S. Poryvaev,&nbsp;D. M. Polyukhov,&nbsp; R. Z. Sagdeev,&nbsp;M. V. Fedin","doi":"10.1134/S0012501623700094","DOIUrl":"10.1134/S0012501623700094","url":null,"abstract":"<p>A method for the controlled filling of pores in metal–organic frameworks (MOFs) with ionic liquids (ILs) has been proposed, which can be applied for selective gas sorption in MOFs. Using an example of MOF ZIF-8 and IL [BMIm]<sup>+</sup>[BF<sub>4</sub>]<sup>−</sup>, composites with different IL content have been prepared with monitoring by electron paramagnetic resonance (EPR) of nitroxide spin probes. The effect of IL on the sorption of nitrogen(II) oxide into these composites has been studied using inversion gas chromatography.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"509 2","pages":"57 - 63"},"PeriodicalIF":0.9,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5088120","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
Thermal and Heterogeneous Catalytic Conversion of Hydrolysis Lignin in 1,4-Dioxane 水解木质素在1,4-二氧六烷中的热非均相催化转化
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-06-28 DOI: 10.1134/S0012501623600110
N. A. Bobrova, A. E. Koklin, T. V. Bogdan, I. I. Mishanin, V. I. Bogdan
{"title":"Thermal and Heterogeneous Catalytic Conversion of Hydrolysis Lignin in 1,4-Dioxane","authors":"N. A. Bobrova,&nbsp;A. E. Koklin,&nbsp;T. V. Bogdan,&nbsp;I. I. Mishanin,&nbsp;V. I. Bogdan","doi":"10.1134/S0012501623600110","DOIUrl":"10.1134/S0012501623600110","url":null,"abstract":"<p>The paper describes the pyrolytic transformation of hydrolysis lignin in 1,4-dioxane at a temperature of 250°C and a pressure of 13.0 MPa and the subsequent Ru/C-catalyzed hydrogenation of the products at a temperature of 250°C and a pressure of 10.0 MPa in an autoclave. It has been found that the thermal pyrolysis of hydrolysis lignin with 1,4-dioxane and the catalytic hydrogenation of pyrolysis products are accompanied by C−O and C−C bond cleavage and formation of a products mixture consisting of soluble oligomer and monomer phenol derivatives, products of their hydrogenolysis and hydrogenation, and also mixtures of C<sub>1</sub>−C<sub>5</sub> gas hydrocarbons and C<sub>2</sub>−C<sub>5</sub> alcohols, and ethers formed mainly during the destruction of the solvent (1,4-dioxane) under the reaction conditions.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"509 1","pages":"51 - 56"},"PeriodicalIF":0.9,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5091995","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: 1
Absorption and Luminescence Properties of Bis-thiacarbocyanine in the Presence of Cucurbit[7,8]urils in Water 瓜[7,8]尾纤存在下双硫碳菁在水中的吸收和发光特性
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-05-24 DOI: 10.1134/S0012501623700082
T. V. Fedotova, G. V. Zakharova,  A. K. Chibisov
{"title":"Absorption and Luminescence Properties of Bis-thiacarbocyanine in the Presence of Cucurbit[7,8]urils in Water","authors":"T. V. Fedotova,&nbsp;G. V. Zakharova,&nbsp; A. K. Chibisov","doi":"10.1134/S0012501623700082","DOIUrl":"10.1134/S0012501623700082","url":null,"abstract":"<p>The effect of cucurbit[7,8]urils on the absorption and luminescent properties of bis-thiacarbocyanine (bis-TCC) based on 3,3'-dimethylthiacarbocyanine (TCC) perchlorate in water was studied. The existence of two forms of bis-TCC that absorb in the long-wavelength and short-wavelength ranges was established. The properties of the form absorbing in the long-wavelength region are similar to those of the TCC monomer (monomer form), whereas the form absorbing in the short-wavelength region exhibits the properties of the non-fluorescent TCC dimer (dimer form). The effect of cucurbit[7,8]urils was manifested as shifts of the absorption and fluorescence maxima, increase in the fluorescence intensity of both the monomer and the dimer forms, and the presence of thermally activated delayed fluorescence of the dimer form in deoxygenated solutions at room temperature. The results derived from spectral and luminescent measurements indicate the ability of bis-TCC to form complexes with cucurbit[7,8]urils.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"508 2","pages":"17 - 21"},"PeriodicalIF":0.9,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4944378","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
Quantum-Chemical Study of Keto–Enol Equilibrium and Global Electrophilicity of Hydroxymaleimide Derivatives 酮烯醇平衡和羟基马来酰亚胺衍生物整体亲电性的量子化学研究
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-05-24 DOI: 10.1134/S001250162360002X
A. A. Panov
{"title":"Quantum-Chemical Study of Keto–Enol Equilibrium and Global Electrophilicity of Hydroxymaleimide Derivatives","authors":"A. A. Panov","doi":"10.1134/S001250162360002X","DOIUrl":"10.1134/S001250162360002X","url":null,"abstract":"<p>The energies of enol and keto forms for 36 3-hydroxymaleimide derivatives have been calculated by the DFT and DLPNO methods. The results clearly show that, with only a few exceptions, the enol form is energetically more favorable by 16–60 kJ mol<sup>–1</sup>, and the energy difference depends on the substituent in the 4-position. Global electrophilic index has been calculated for all the compounds, which demonstrates that the keto form is generally more electrophilic, and electrophilicity depends on the substituent in the 4-position. Two possible structures of hydroxymaleimide anion have been evaluated; the deprotonation of the oxygen atom turns out to be the most energetically favorable.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"508 2","pages":"28 - 32"},"PeriodicalIF":0.9,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4942985","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
Complexes of Citrus Pectin with Nifedipine: Preparation and Physicochemical Properties 柑橘果胶与硝苯地平配合物的制备及其理化性质
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-05-24 DOI: 10.1134/S0012501623700070
S. T. Minzanova, E. V. Chekunkov, A. V. Khabibullina, D. M. Arkhipova, L. G. Mironova, A. R. Khamatgalimov, V. A. Milyukov,  V. F. Mironov
{"title":"Complexes of Citrus Pectin with Nifedipine: Preparation and Physicochemical Properties","authors":"S. T. Minzanova,&nbsp;E. V. Chekunkov,&nbsp;A. V. Khabibullina,&nbsp;D. M. Arkhipova,&nbsp;L. G. Mironova,&nbsp;A. R. Khamatgalimov,&nbsp;V. A. Milyukov,&nbsp; V. F. Mironov","doi":"10.1134/S0012501623700070","DOIUrl":"10.1134/S0012501623700070","url":null,"abstract":"<p>Formation of stable complexes of pectin polysaccharides with Nifedipine hypotensive drug has been shown by IR and UV spectroscopy, stereochemistry of the complexes has been determined, their preparation conditions have been optimized. Features of thermal decomposition of pectin and the prepared complexes with Nifedipine have been studied by TGA/DSC. Obtained results provide scientific foundation to design new water-soluble non-toxic formulation of Nifedipine to expand the use of the drug in medicine.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"508 2","pages":"22 - 27"},"PeriodicalIF":0.9,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4944351","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
Ionic Liquids—New Gas Chromatographic Phases with Unique Properties. A Review 离子液体——具有独特性质的新型气相色谱相。回顾
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-05-24 DOI: 10.1134/S0012501623600018
M. V. Shashkov, V. N. Sidelnikov,  V. N. Parmon
{"title":"Ionic Liquids—New Gas Chromatographic Phases with Unique Properties. A Review","authors":"M. V. Shashkov,&nbsp;V. N. Sidelnikov,&nbsp; V. N. Parmon","doi":"10.1134/S0012501623600018","DOIUrl":"10.1134/S0012501623600018","url":null,"abstract":"<p>A necessary and the most difficult element in the study of many chemical processes is a reliable chemical analysis of both the initial reagents and the products of their transformation. One of the most common methods for such analysis is capillary gas chromatography, which, unfortunately, has some limitations. The limitations include, for example, the low thermal stability of high polarity stationary liquid phases (SLPs). A way to overcome this limitation is the use of ionic liquids (ILs) as SLPs. In this review, we focus on the use of liquid phases based on ILs with cations of various chemical classes. The properties of such SLPs are considered from the point of view of their possible chromatographic selectivity, and examples of the use of columns with ILs for solving specific analytical problems are given. The properties of currently available commercial columns where ILs are used as the SLPs are discussed.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"508 1","pages":"1 - 16"},"PeriodicalIF":0.9,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5295992","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
Palladium-Based Electroactive Materials for Environmental Catalysis 环境催化用钯基电活性材料
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-02-20 DOI: 10.1134/S0012501622700063
N. A. Faddeev, A. B. Kuriganova, I. N. Leont’ev, N. V. Smirnova
{"title":"Palladium-Based Electroactive Materials for Environmental Catalysis","authors":"N. A. Faddeev,&nbsp;A. B. Kuriganova,&nbsp;I. N. Leont’ev,&nbsp;N. V. Smirnova","doi":"10.1134/S0012501622700063","DOIUrl":"10.1134/S0012501622700063","url":null,"abstract":"<p>A method has been proposed and justified to fabricate palladium-based electroactive materials by electrochemical dispersion of palladium under the action of a pulsed alternating current. The effect of the nature of the electrolyte on the composition and microstructural characteristics of palladium-containing catalysts has been studied by thermogravimetric analysis, UV-Vis spectroscopy, X-ray fluorescence analysis, X-ray powder diffraction analysis, and transmission electron microscopy. A set of the most probable chemical and electrochemical processes occurring under the action of pulsed alternating current and causing the formation of Pd and PdO nanoparticles has been considered. The effect of the synthesis parameters and the nature of the electrolyte on the activity of the obtained catalysts has been investigated. It has been shown that the electrocatalytic activity of Pd–PdO/C materials in the oxidation of ethanol in an alkaline medium is determined by the presence of an oxide phase in the catalyst composition and the size of palladium particles; this activity is maximum for materials with a slight predominance of PdO and with palladium particle sizes of more than 10 nm. For the oxidation of formic acid in an acid medium, catalysts with a minimum content of the oxide phase are more active, which is due to differences between the mechanisms of oxidation of formic acid and ethanol.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"507 1","pages":"139 - 146"},"PeriodicalIF":0.9,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4787114","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
New Approaches to the Synthesis of Ultralow-Palladium Automotive Emission Control Catalysts 超低钯汽车尾气控制催化剂的合成新方法
IF 0.9 4区 化学
Doklady Physical Chemistry Pub Date : 2023-02-20 DOI: 10.1134/S001250162260019X
T. N. Rostovshchikova, M. I. Shilina, S. A. Gurevich, D. A. Yavsin, G. B. Veselov, A. A. Vedyagin
{"title":"New Approaches to the Synthesis of Ultralow-Palladium Automotive Emission Control Catalysts","authors":"T. N. Rostovshchikova,&nbsp;M. I. Shilina,&nbsp;S. A. Gurevich,&nbsp;D. A. Yavsin,&nbsp;G. B. Veselov,&nbsp;A. A. Vedyagin","doi":"10.1134/S001250162260019X","DOIUrl":"10.1134/S001250162260019X","url":null,"abstract":"<p>Laser electrodispersion has been used as an alternative to the chemical synthesis of palladium-containing catalysts. The thus produced catalysts supported on alumina and HZSM-5 zeolite have high catalytic activity and stability at ultralow palladium content (0.03 wt %) in a model reaction of CO oxidation under conditions of prompt thermal aging. According to X-ray photoelectron spectroscopy and transmission electron microscopy data, palladium in the catalyst samples predominantly occurs in the Pd<sup>0</sup> state as fine particles about 2.0 nm in size, which almost completely cover the support surface. The textural characteristics of both supports are retained after the deposition of palladium. The modification of zeolite with palladium increases the adsorption capacity for hydrocarbons, which gives rise to a sorption effect in the temperature dependences of the CO conversion. The palladium-containing alumina-based catalyst demonstrated the best stability during heat treatment up to 1000°C.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"506 1","pages":"123 - 130"},"PeriodicalIF":0.9,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4788042","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: 3
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