Russian Journal of Physical Chemistry A最新文献_第5页

Removal of Ciprofloxacin and Doxycycline Using a Recently Synthesized Triazine-Based Covalent Organic Framework As an Efficient Adsorbent 用新合成的三嗪基共价有机骨架作为高效吸附剂去除环丙沙星和强力霉素

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703297

Mohammad Reza Jalali Sarvestani, Simin Arabi

{"title":"Removal of Ciprofloxacin and Doxycycline Using a Recently Synthesized Triazine-Based Covalent Organic Framework As an Efficient Adsorbent","authors":"Mohammad Reza Jalali Sarvestani,  Simin Arabi","doi":"10.1134/S0036024425703297","DOIUrl":"10.1134/S0036024425703297","url":null,"abstract":"This study focused on synthesizing TPT-COF as an adsorbent and assessing its effectiveness in capturing two categories of antibiotics: tetracycline and quinolone, specifically targeting doxycycline (DOX) and ciprofloxacin (CIP). X-ray diffraction analysis revealed distinct, sharp peaks in the COF, confirming its high crystallinity. FE-SEM imaging showed that TPT-COF possessed a rod-like morphology, accompanied by filamentous structures that pointed to the presence of a polymeric network. Various parameters influencing antibiotic adsorption were thoroughly investigated, including pH values (spanning from 2 to 10), adsorbent masses (10–90 mg), initial antibiotic concentrations (20–60 mg/L), and contact times (20–100 min). Optimal conditions for the adsorption of DOX and CIP were identified as a pH of 6, an equilibrium time of 60 min, and adsorbent doses of 50 mg for DOX and 70 mg for CIP. Experimental equilibrium data were analyzed using adsorption isotherms based on the Langmuir and the Freundlich models, with the associated parameters calculated. The findings indicated that the adsorption of DOX and CIP antibiotics onto TPT‑COF aligned with the Freundlich isotherm. For both DOX and CIP, the adsorption data demonstrated a stronger correlation with the pseudo-second-order kinetic model (R2 = 0.9945 and 0.9929, respectively) compared to the pseudo-first-order model at pH 6. Additionally, various thermodynamic properties, including Gibbs free energy, enthalpy, and entropy, were assessed. The results confirmed that the process is endothermic and occurs spontaneously. These observations offer valuable insights into water purification technologies and open up avenues for further scientific exploration and practical industrial applications.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3635 - 3646"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336633","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

Highly Efficient Ultrasound-assisted Green Epoxidation with H2O2 over a Structured Ni–CeO2–Al2O3–SiO2 Catalyst 基于Ni-CeO2-Al2O3-SiO2催化剂的H2O2高效超声辅助绿色环氧化研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703169

Boufellah Nassima, Aksas Hammouche, Djeziri Mourad

引用次数: 0

Research on the Crystallization Thermodynamics of Diammonium Hydrogen Phosphate in H2O-Ethylene Glycol Binary System 磷酸氢二铵在h2o -乙二醇二元体系中的结晶热力学研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703157

Zheng Ya-yuan, Lv Hao, Mai Wen-hao, Du Huai-ming, Xing Bo

{"title":"Research on the Crystallization Thermodynamics of Diammonium Hydrogen Phosphate in H2O-Ethylene Glycol Binary System","authors":"Zheng Ya-yuan, Lv Hao, Mai Wen-hao, Du Huai-ming, Xing Bo","doi":"10.1134/S0036024425703157","DOIUrl":"10.1134/S0036024425703157","url":null,"abstract":"Diammonium Hydrogen Phosphate (DAP) serves as a highly efficient compound fertilizer and industrial raw material. However, commercial industrial—grade DAP commonly contains numerous impurities and has drawbacks in terms of particle size distribution and shape. As a result, there is a need to research the crystallization of DAP in H2O–ethylene glycol (EG) binary systems to seek possible remedies. This article presents the outcomes of an all—inclusive research into how the proportions of the H2O–EG binary system impact the thermodynamics of DAP. Five established models such as the Apelblat model, Van’t Hoff model, Redlich–Kister model, Polynomial model, and Jouyban-Acree–Van’t Hoff model are adopted in this research. They are used to correlate the experimental data and determine the thermodynamic parameters involved in the crystallization process of DAP. Moreover, the Mersmann and Barata models are used for calculating the solid–liquid surface tension (γ) as well as the crystal surface entropy factor (f) of DAP in the relevant systems. The results show that the dissolution of DAP represents an endothermic and non-spontaneous event, mainly propelled by alterations in enthalpy. Among the models considered, the Polynomial model seems to afford a more in-depth comprehension of DAP’s solubility behavior. The outcomes of this research furnish essential data for optimizing and enhancing the production process of DAP. This, in turn, can lead to improvements in both the quality and efficiency of DAP production.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3493 - 3502"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336419","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

Electronic, Structural, Magnetic, and Thermodynamic Properties of the Half-metallic Ferromagnetic Compounds Containing Chromium and Rubidium 含铬和铷的半金属铁磁化合物的电子、结构、磁性和热力学性质

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703212

I. Asfour

{"title":"Electronic, Structural, Magnetic, and Thermodynamic Properties of the Half-metallic Ferromagnetic Compounds Containing Chromium and Rubidium","authors":"I. Asfour","doi":"10.1134/S0036024425703212","DOIUrl":"10.1134/S0036024425703212","url":null,"abstract":"This work is a predictive study performed via the full-potential linearized augmented-plane-wave (FP-LAPW) method implemented in the wien2k code in the density functional theory (DFT) frameworks. The objective is to determine the structural, elastic, electronic, magnetic and thermodynamic properties of new half-metallic Cr2RbZ (Z = Sn and Pb). Perdew–Burke–Ernzerhof generalized gradient (GGA-PBE) approximation was used to treat the exchange-correlation potential. Results on lattice parameters, bulk modulus, elastic, energy band gap and magnetic properties are reported. The calculated lattice constants for Cr2RbSn and Cr2RbPb are 7.3705 and 7.5323 Å, respectively. The elastic constants for the cubic system (C11, C12, and C44) and anisotropy are computed to prove the mechanical stability of these compounds. The electronic band structures and density of states (DOS) of the compounds indicate they are half metallic because of the existence of the energy gap in the minority spin (DOS and band structure), which yields perfect spin polarization. The total magnetic moment of 9.00 μB is mainly contributed by the Cr atom. The thermodynamic stability of these compounds are also determined. In addition the temperature and pressure effects on the bulk modulus, heat capacities, Debye temperatures and entropy are computed and discussed in details.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3550 - 3563"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336791","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

Counter Flow Heat Exchanger Analysis of Copper–Silica Hybrid Nanofluids under Laminar Flow 层流条件下铜-二氧化硅复合纳米流体的逆流换热器分析

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703273

P. H. V. Sesha Talpa Sai, M. L. R. Chaitanya Lahari, K. S. Narayana Swamy, K. V. Sharma, T. Rajendra Prasad, C. Naga Bhaskar

引用次数: 0

First-principle Study of Structural, Elastic, Mechanical, and Optical Properties of Wolframite NiWO4 under Pressure 压力下黑钨矿NiWO4结构、弹性、力学和光学性质的第一性原理研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703236

Jun Peng, Yu Wu, Yashu Wei, Wenjuan Wang

{"title":"First-principle Study of Structural, Elastic, Mechanical, and Optical Properties of Wolframite NiWO4 under Pressure","authors":"Jun Peng, Yu Wu, Yashu Wei, Wenjuan Wang","doi":"10.1134/S0036024425703236","DOIUrl":"10.1134/S0036024425703236","url":null,"abstract":"The potential applications of metal tungstate are promising due to their excellent combination of the optical, photoluminescence, and ferroelectric properties. In this study, we present a systematic investigation structural, elastic, mechanical, and optical properties of nickel tungstate (NiWO4) under pressure up to 20 GPa. The calculated lattice parameters are in agreement with the previously reported results. The independent elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and Pugh’s ratio of monoclinic NiWO4 are obtained. By the elastic stability criterion under isotropic pressure, it was found that the monoclinic NiWO4 is mechanically stable under pressure up to 20 GPa. The calculated bulk modulus, shear modulus, and Young’s modulus all increased with an increase in the pressure. The Pugh’s ratio ((B{text{/}}G)) and Poisson’s ratio (({{delta }})) analyses implied that the monoclinic NiWO4 becomes more ductile as pressure increases. Moreover, optical properties such as absorption coefficient, reflectivity spectrum, refractive index, and extinction coefficient are also analyzed under pressure.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3577 - 3585"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336420","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

Effect of Pyrolysis Temperature Variation on Gasoline Selectivity from Polypropylene Plastic Waste 热解温度变化对聚丙烯塑料废弃物汽油选择性的影响

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703200

Mazlan, Ari Handono Ramelan, Khoirina Dwi Nugrahaningtyas

{"title":"Effect of Pyrolysis Temperature Variation on Gasoline Selectivity from Polypropylene Plastic Waste","authors":"Mazlan, Ari Handono Ramelan, Khoirina Dwi Nugrahaningtyas","doi":"10.1134/S0036024425703200","DOIUrl":"10.1134/S0036024425703200","url":null,"abstract":"The objective of this research is to investigate the effect of pyrolysis temperature variation on the selectivity of gasoline fraction from polypropylene (PP) plastic waste. The pyrolysis process was conducted using a semi-batch stainless steel reactor at three different temperatures: 350, 400, and 450°C, each with a constant residence time of 60 min. The liquid products were condensed and analyzed using Fourier transform infrared spectroscopy (FTIR) and gas chromatography–mass spectrometry (GC-MS). Results show that the highest oil yield was obtained at 400°C (85.72 wt %), while 350 and 450°C produced 48.67  and 75.92 wt %, respectively. FTIR analysis revealed the presence of hydrocarbon functional groups including alkanes and alkenes. GC-MS results indicate that 400°C yielded the highest concentration of C9–C11 hydrocarbons, with C9 being the most abundant at 36%, followed by C10 (15%) and C11 (12%). This range corresponds to the gasoline fraction (C5–C12), which peaked at 60.72 wt % at 400°C. Therefore, 400°C is identified as the optimal temperature for maximizing both oil yield and gasoline selectivity in PP pyrolysis.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3543 - 3549"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336631","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

Study of the Structural, Elastic, Electronic, and Optical Properties of BAsxP1–x Ternary Alloys BAsxP1-x三元合金的结构、弹性、电子和光学性能研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703224

F. Guenfoud, S. Touam, N. Mounis, S. Drablia, F. Chouit, S. Chelli, M. Gacem, H. Meradji, S. Ghemid

引用次数: 0

Effect of Mn-Doped MgO Support on the Catalytic Performance of Ni-Based Catalysts in CO2 Methanation mn掺杂MgO载体对ni基催化剂CO2甲烷化催化性能的影响

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703194

Ziyi Huang, Quanbei Li, Tiancheng Huang, Yanyan Feng, Wen Yang

{"title":"Effect of Mn-Doped MgO Support on the Catalytic Performance of Ni-Based Catalysts in CO2 Methanation","authors":"Ziyi Huang, Quanbei Li, Tiancheng Huang, Yanyan Feng, Wen Yang","doi":"10.1134/S0036024425703194","DOIUrl":"10.1134/S0036024425703194","url":null,"abstract":"Methanation of CO2 is a promising strategy for converting CO2 into valuable fuels or products, and the current critical challenge lies in the scientific design of non-precious metal catalysts capable of achieving high activity at low reaction temperatures. Hence, the Mn-doped MgO support was synthesized through the co-precipitation method, followed by the preparation of the Ni/Mn–MgO catalysts via the impregnation method for use in CO2 methanation, in order to investigate the effect of Mn doping on the morphology, structure and catalytic performance of the resultant catalysts. The results demonstrated that an appropriate amount of Mn doping could improve the dispersion of active metal Ni in the support, weaken the interaction between Ni and the support, increase the specific surface area of the catalyst, advance the generation of surface defect oxygen species, and consequently enhance the number of weak and moderate alkaline sites. Obviously, the catalyst Ni/Mn–MgO-0.10 exhibited the excellent catalytic performance with CO2 conversion of 70% and CH4 yield of 66% under 350°C, and still maintained the stable catalytic activity after 60 h of stability testing.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3532 - 3542"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336632","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

Preparation of Low-Cost and High-Performance Aluminum Anodes for Al-Air Batteries via Friction Stir Processing 用搅拌摩擦法制备低成本高性能铝空气电池阳极

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI: 10.1134/S0036024425703315

Bing Li, Shan Jiang, Xuetian Li, He Liu, Fudong Wang, Gang Wang

{"title":"Preparation of Low-Cost and High-Performance Aluminum Anodes for Al-Air Batteries via Friction Stir Processing","authors":"Bing Li, Shan Jiang, Xuetian Li, He Liu, Fudong Wang, Gang Wang","doi":"10.1134/S0036024425703315","DOIUrl":"10.1134/S0036024425703315","url":null,"abstract":"In this study, low-cost 6082 commercial aluminum alloy was selected as the subject of investigation. The alloy was modified through friction stir processing (FSP) in order to produce a cost-effective, high-performance aluminum anode suitable for aluminum air batteries. The aluminum anode’s microstructure, electrochemical performance, and battery performance underwent characterization and analysis via OM, SEM, CHI electrochemical workstation, and the land battery test system. Additionally, the self-corrosion rate of the aluminum anode in a 4 mol L–1 NaOH solution was assessed using the weight loss method. The results indicated that friction stir processing (FSP) notably refined the coarse rolled grains of the 6082 aluminum alloy, converting them into uniform and delicate equiaxed grains. Additionally, the precipitates present in the 6082 aluminum alloy matrix underwent fragmentation and dissolution. As a result of grain refinement, along with the dispersion and diminution of precipitates, the FSP-treated 6082 aluminum alloy exhibited a reduced self-corrosion rate, enhanced corrosion resistance, and elevated electrochemical activity. Furthermore, FSP markedly augmented the discharge performance of the 6082 aluminum anode. When subjected to varying current densities, the aluminum air battery, utilizing FSP-6082 as the anode, demonstrated superior discharge voltage and power density. Hence, the 6082 aluminum alloy, modified through friction stir processing technology and costing less, can serve as an efficient anode for aluminum air batteries, thereby enhancing their performance significantly. Hence, the low-cost 6082 aluminum alloy, modified through friction stir processing technology, can serve as an efficient anode for aluminum air batteries, thereby enhancing their performance significantly.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 14","pages":"3661 - 3670"},"PeriodicalIF":0.8,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147337146","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