Russian Journal of Physical Chemistry A最新文献

{"title":"Synergistic Plasmon-Piezoelectric Enhancement in Ag-Modified Gd and Zr Co-doped BiFeO3 Nanoparticles for Piezo-photocatalysis Degradation of Ofloxacin","authors":"Xuan Liu,&nbsp;Jinliang Huang,&nbsp;Feifei Guo,&nbsp;Liangliang Chang,&nbsp;Chunsheng Zhou,&nbsp;Zengzhe Xi","doi":"10.1134/S0036024426602053","DOIUrl":"10.1134/S0036024426602053","url":null,"abstract":"<p>This study presents a novel strategy to significantly enhance the piezocatalytic performance of BiFeO₃ for antibiotic degradation by integrating cation co-doping and noble metal decoration. To address the inherent limitations of rapid charge recombination and insufficient active sites in pristine BiFeO₃, Gd, and Zr co-doped BiFeO₃ (BGFZ9) NPs were first synthesized via a sol-gel method. Subsequently, Ag NPs were uniformly deposited on the BGFZ9 surface through a facile photochemical reduction process to construct Ag/BGFZ9 nanocomposites. Comprehensive characterizations including XRD, XPS, TEM, and VSM confirmed the successful formation of the perovskite structure, uniform dispersion of Ag NPs, and tailored magnetic properties. The optimized Ag2/BGFZ9 catalyst demonstrated remarkable piezocatalytic and piezo-photocatalytic activity towards ofloxacin, achieving degradation efficiencies of 82.54 and 86.98% within 120 min under ultrasonic and combined ultrasonic/visible-light irradiation, respectively. The corresponding first-order rate constants were 0.0147 and 0.0164 min^–1, representing a significant enhancement over the undoped and unmodified counterparts. The superior performance is attributed to the synergistic interplay of multiple factors: (1) the Gd/Zr co-doping induced lattice distortion and optimized band structure, enhancing the intrinsic piezoelectric response; (2) the formation of a Schottky junction at the Ag/BGFZ9 interface, which acted as an efficient electron sink to suppress charge carrier recombination; and (3) the LSPR effect of Ag NPs under visible light, which broadened light absorption and generated hot electrons. Radical trapping experiments and EPR spectroscopy identified <span>( bullet {kern 1pt} {text{O}}_{2}^{ - })</span> and <span>( bullet {kern 1pt} {text{OH}})</span> as the primary reactive oxygen species. The catalyst maintained 82.13% of its initial activity after five consecutive cycles, demonstrating excellent stability and magnetic recoverability. This work elucidates a synergistic piezoelectric-plasmonic coupling mechanism and provides a viable design principle for developing efficient, stable, and magnetically separable multiferroic catalysts for advanced oxidation processes in wastewater remediation.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2407 - 2418"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098265","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}

{"title":"Effects of Iron and Iron Oxide Nanoparticles on the Curing Reaction Kinetics of an Epoxy Composite under Isothermal Conditions","authors":"K. O. Il’inova,&nbsp;A. P. Safronov,&nbsp;V. V. Sereda,&nbsp;I. V. Beketov","doi":"10.1134/S0036024426701803","DOIUrl":"10.1134/S0036024426701803","url":null,"abstract":"<p>The effects of metallic iron (Fe) and iron oxide (FeO_<i>x</i>) nanoparticles on the curing kinetics of a filled composite based on ED-20 epoxy resin and the high-temperature amine curing agent metaphenylenediamine was studied by differential scanning calorimetry (DSC). The kinetic analysis of the crosslinking reaction was performed in the isothermal mode at temperatures from 70 to 120°C in 5°C increments. Isothermal curing below 110°C does not lead to complete crosslinking. This is hindered by vitrification of the forming three-dimensional polymer network and the ensuing conformational restrictions for the interaction of reactive groups. The crosslinking reaction kinetics was analyzed using an autocatalytic model. In the temperature range of 95–120°C, the activation energy of the reaction is 69 kJ/mol for both the ED-20 resin itself and its composites with nanoparticles. However, at lower temperatures of 80–95°C, the activation energy of the crosslinking reaction for the composites decreases by an order of magnitude. This indicates that Fe and FeO_<i>x</i> nanoparticles produce a catalytic effect on the epoxy resin crosslinking reaction in this temperature range.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2373 - 2384"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098266","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}

{"title":"Solid–Liquid Phase Equilibria of the Quaternary System (NaCl + MgCl2 + SrCl2 + H2O) at 288.15 and 318.15 K","authors":"Jia-lu Liu,&nbsp;Liang-qin Chen,&nbsp;Geng-Shen Gao,&nbsp;Dong-chan Li","doi":"10.1134/S0036024426701773","DOIUrl":"10.1134/S0036024426701773","url":null,"abstract":"<p>Solubility of the quaternary system (NaCl + MgCl₂ + SrCl₂ + H₂O) was investigated at 288.15 and 318.15 K by isothermal dissolution equilibrium method. In the phase diagrams of the system there are one invariant point, three univariate curves, and three salt crystalline zones corresponding to NaCl, MgCl⋅6H₂O, and SrCl₂⋅6H₂O. The crystallization region area of MgCl₂⋅6H₂O is much smaller than that of the remaining two salts, which suggests that the addition of magnesium salts has a strong precipitation effect on the sodium and strontium salts in the system, which can be used as a guide for the production of strontium salts. The phase diagrams of the quaternary system at 288.15 and 318.15 K were compared. From the multi-temperature comparison of the phase diagrams, it can be observed that the area of the crystalline zone of MgCl₂⋅6H₂O and SrCl₂⋅6H₂O were decreased with the increase of temperature, while the area of the crystalline zone of NaCl was enlarged, which indicates that the increase of the temperature will reduce the solubility of NaCl and increase that of MgCl₂⋅6H₂O and SrCl₂⋅6H₂O. The experimental results of the quaternary system (NaCl + MgCl₂ + SrCl₂ + H₂O) are of great reference value for the separation and purification of sodium, magnesium and strontium salts in the brine of the Nanyishan Oilfield in the Qaidam Basin.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2330 - 2337"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098492","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}

{"title":"Temperature Dependent Thermo-Acoustical Properties of Diethyl Ether + 1-Hexanol at 298–313 K: A Comparative Experimental Investigation","authors":"A. P. Maharolkar,&nbsp;A. G. Murugkar,&nbsp;P. W. Khirade","doi":"10.1134/S0036024426602697","DOIUrl":"10.1134/S0036024426602697","url":null,"abstract":"<p>Acomprehensive thermo-acoustical investigation of diethyl ether and 1-hexanol has been carried out at four different temperatures (298, 303, 308, and 313 K). Experimentally measured parameters include density (ρ), viscosity (η), and ultrasonic velocity (<i>U</i>). Using experimental data, various derived thermo-acoustical parameters such as acoustic impedance (<i>Z</i>), intermolecular free length (<i>L</i>_f), internal pressure (π_<i>i</i>), Wada’s constant (<i>W</i>), molar enthalpy, and inverse relaxation time (1/τ) were evaluated. Further, excess properties including excess molar volume (<span>(V_{{text{m}}}^{{text{E}}})</span>), excess acoustic impedance (<i>Z</i>^E), excess ultrasonic velocity (<i>U</i>^E), excess viscosity (η^E), and excess intermolecular free length (<span>(L_{{text{f}}}^{{text{E}}})</span>) were calculated to analyze deviations from ideal behavior and intermolecular interactions. Temperature dependence reveals systematic variation of cohesive forces with increasing temperature. Strong associative hydrogen bonding in 1-hexanol leads to higher viscosity, lower molar volume and higher acoustic impedance compared to diethyl ether, which predominantly exhibits dipole–dipole and dispersive interactions. The sign and magnitude of excess parameters indicate the strength and nature of molecular interactions and structural rearrangements within the liquid systems. The present study provides valuable thermodynamic data for molecular interaction analysis and industrial process modeling.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2265 - 2274"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098176","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}

{"title":"Mathematical Modeling of the Extraction Isotherms of La(NO3)3 with a Mixture of 0.3 M Methyltri-n-octylammonium Nitrate and 0.7 M Tri-n-butyl Phosphate in Toluene","authors":"S. I. Stepanov,&nbsp;K. A. Slavinsky,&nbsp;Nguyen Thi Yen Hoa,&nbsp;E. V. Boiarintseva","doi":"10.1134/S0036024426701827","DOIUrl":"10.1134/S0036024426701827","url":null,"abstract":"<p>Mathematical modeling of the extraction isotherm of La(NO₃)₃ with a mixture of 0.3 M methyltri-<i>n</i>-octylammonium nitrate <b>(</b>MTOAN) and 0.7 M tri-<i>n</i>-butyl phosphate (TBP) in toluene was carried out using the EXTREQ‑2 software package. An adequate description with a minimum relative error of 1.88% is achieved for the stoichiometric model including the formation of two mixed complexes (R₄N)₄[La(NO₃)₇⋅14TBP] and (R₄N)₃[La(NO₃)₆⋅6TBP] and two complexes with each of the extractants (R₄N)₃[La(NO₃)₆ and [La(NO₃)₃⋅TBP]. For models including the formation of nonstoichiometric mixed complexes, an adequate description with a relative error of 3.21% is achieved using the model with a mixed complex [La(NO₃)₃⋅7R₄NNO₃⋅7TBP] and nonstoichiometric complexes of [La(NO₃)₃⋅6.77R₄NNO₃] and [La(NO₃)₃⋅4.3TBP]. The thermodynamic extraction constants were calculated for all the established model complexes, the analytical equations of the extraction isotherm are presented, and the diagrams of distribution of each complex in the organic phase are given as a function of the equilibrium concentration of La(NO₃)₃ in the aqueous phase.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2441 - 2450"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098290","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}

{"title":"Ferroelectricity of Liquid Water","authors":"A. V. Maksimychev,&nbsp;L. I. Menshikov,&nbsp;P. L. Menshikov","doi":"10.1134/S003602442670175X","DOIUrl":"10.1134/S003602442670175X","url":null,"abstract":"<p>This paper briefly discusses the previously introduced vector model of polar liquids model (VMPL) and predictions made on its basis, comparing them with recent experiments and molecular dynamics calculations.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2318 - 2323"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098286","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}

{"title":"Dynamic Model of N-Methyl-2-Pyrrolidone for Molecular Dynamics Simulation","authors":"A. D. Muratova,&nbsp;D. A. Markelov,&nbsp;A. V. Komolkin","doi":"10.1134/S0036024426701785","DOIUrl":"10.1134/S0036024426701785","url":null,"abstract":"<p><i>N</i>-Methyl-2-pyrrolidone (NMP) is widely used as a solvent in pharmaceuticals, petrochemical industry, and electrochemical and electrical engineering sectors. It is also widely used in the polymer, textile, paint-and-coating, and oil refining industries, where it serves as an effective solvent, plasticizer, or a component used in purification processes. This paper presents models of the NMP molecule that enable the study of dynamic properties via molecular dynamics (MD) simulation. The study considers four models of the NMP molecule: two sets of Lennard-Jones potentials (OPLS-AA and AMBER (General AMBER Force Field, GAFF-2)) in combination with two sets of partial atomic charges (the recommended OPLS charges and those calculated by the RESP method). The simulation results for all the models are consistent with experimental data on density and viscosity (according to the literature data) and on the temperature dependence of the self-diffusion coefficient (obtained by NMR in this study). Thus, it can be asserted that the presented dynamic models of NMP allow MD simulations to study the properties of both NMP itself and the substances dissolved in it.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2338 - 2346"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098122","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}

{"title":"Vibrational, Thermal Analysis, and Dielectric Properties of Poly(2-ethyl-2-oxazoline)","authors":"S. Bouktab,&nbsp;A. Ammari,&nbsp;M. Belhocine,&nbsp;K. L. Chai,&nbsp;F. Dergal,&nbsp;M. Kebir,&nbsp;M. Bidaoui","doi":"10.1134/S0036024426701815","DOIUrl":"10.1134/S0036024426701815","url":null,"abstract":"<p>Poly(2-ethyl-2-oxazoline) (PEOX) belongs to the family of polymers known for their beneficial characteristics, such as hydrophilicity (water solubility), biocompatibility and being eco-friendly to the environment. PEOX has attracted the attention of several scientists, making its use very widespread and beneficial due to its intriguing performances suitable to develop advanced materials for strategic applications. Our research described here investigated the structural, vibrational, thermal and dielectric properties of PEOX, and correlated all these properties for in depth comprehension of the compound’s behavior. PEOX was characterized by infrared and Raman spectroscopies to depict the characteristic vibrational bands of PEOX. Thermal stability was characterized by thermogravimetric analysis, which revealed good thermal stability below 327°C; above this temperature PEOX undergoes thermal decomposition. Furthermore, the electrical and dielectric properties of PEOX were analyzed. The data depicted a strong dispersion dependence on both temperature and frequency; thus, highlighting its potential use for the development of advanced functional materials.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2385 - 2395"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098288","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}

{"title":"Structural Features of Sodium Ultraphosphate Glasses Doped with Al2O3","authors":"Bin Wu,&nbsp;Yaqiong Liang,&nbsp;Qilong Liao,&nbsp;Jiali Zeng,&nbsp;Hanzhen Zhu,&nbsp;Daiyu Zhang,&nbsp;Guoliang Xu,&nbsp;Junyuan Zhang,&nbsp;Fu Wang","doi":"10.1134/S0036024425600734","DOIUrl":"10.1134/S0036024425600734","url":null,"abstract":"<p>The Al₂O₃ substitution for Na₂O, up to 17 mol %, on the glass formation, structural features of a series of sodium ultraphosphate glasses for nuclear waste immobilization was investigated by using Fourier transform infrared spectra and Raman spectra.The results show that the Al₂O₃-containing sodium ultraphosphate glasses in this work predominantly consist of Q² phosphate units and the Al₂O₃ substitution for Na₂O induces the transformation of long phosphate chain units to short chain units such as Q¹ units, the breaking of P=O bonds, and the formation of strong Al–O–P bonds. Moreover, with the Al₂O₃ substitution, the phosphate networks are depolymerized but the entire glass networks are enhanced by cross-linking phosphate chains/units through Al-containing polyhedrons and Al–O–P bonds. Thus, the thermal stability of the NAP glasses are enhanced, as proved by density and DSC analyses. The conclusions provide researchers understanding the role of Al₂O₃ in the molecular structure of sodium ultraphosphate glasses for potential application in nuclear waste immobilization.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2347 - 2357"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098490","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}

{"title":"Liquid–Vapor Equilibrium in the GaCl3–H2O and GaCl3–HCl–H2O Systems at the Boiling Point","authors":"A. N. Pochtarev,&nbsp;V. S. Kalimulin,&nbsp;A. A. Kataev","doi":"10.1134/S0036024426701761","DOIUrl":"10.1134/S0036024426701761","url":null,"abstract":"<p>The liquid–vapor equilibrium in the GaCl₃–H₂O and GaCl₃–HCl–H₂O systems at the boiling point was studied. This study is relevant because of significant accumulation of gallium trichloride solutions as intermediates formed during the hydrochemical treatment of the metal with hydrochloric acid. The HCl concentration in both solution and vapor phases was measured using the standard techniques and instruments. The relative volatility and selectivity coefficients were calculated from the experimental data. Based on the data obtained, a region of concentrations (30.0–45.0 wt %) was identified in the gallium(III) chloride–water system where the effect of gallium chloride on the liquid–vapor phase equilibrium is abnormal; this is associated with the formation of structural complexes between gallium chloride and free water in solution. These tendencies in equilibria in the studied systems make it possible to determine the optimal parameters for hydrochloric acid regeneration in the required concentration and extraction of gallium with a lower consumption of alkaline reagents.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 10","pages":"2324 - 2329"},"PeriodicalIF":0.7,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098121","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}