Pub Date : 2024-09-11DOI: 10.1134/s1990793124700349
M. Monajjemi, F. Mollaamin, S. Shahriari, S. Mohammadi
Abstract
The C60/Fe3O4/SiO2/GeO2 composite was synthesized containing core/shell/shell nanomaterial by layer/layer gel method. The C60/Fe3O4/SiO2/GeO2 composite was characterized by X-ray diffraction, field emission scanning electron microscopy fitted through scanning electron microscopy, energy dispersive X-ray spectroscopy, fourier transform infrared spectroscopy, transmission electron microscopy and UV-visible. Magnetic behavior of the synthesized product was evaluated by vibrating-sample magnetometer. The data exhibited that magnetite composites have been properly coated. This system can be applied for recycling photosensitizing way using solar energy for water disinfection. Results were reported and for degradation organic compounds via producing a single oxygen. This approach comprises C60 amino fullerene as a sensitizer for singlet oxygenation and Fe3O4/SiO2/GeO2 encapsulating magnetite nanoparticles. Fast degradation of furfuryl alcohol and methylene blue under UV-visible light exhibit that this irradiation activity of C60 amino fullerene-derivatives is related to the photosensitization of single oxygen. Significant single oxygen production using C60/Fe3O4/SiO2/GeO2 system causes the effective oxidation of and inactivation of MS-2 bacteriophage under UV/visible irradiation. Our results also exhibited that the variable surfaces were effective in photo-catalyst behavior of these compounds. C60/Fe3O4/SiO2/GeO2 composite can also be recovered and reapplied using a strong magnetic field and the photo-catalyst particles again.
摘要 采用层/层凝胶法合成了含有核/壳/贝壳纳米材料的C60/Fe3O4/SiO2/GeO2复合材料。通过 X 射线衍射、场发射扫描电镜、能量色散 X 射线光谱、傅立叶变换红外光谱、透射电镜和紫外可见光对 C60/Fe3O4/SiO2/GeO2 复合材料进行了表征。通过振动样品磁力计对合成产品的磁性进行了评估。数据显示,磁铁矿复合材料已被适当涂覆。该系统可用于利用太阳能进行水消毒的循环光敏方式。报告了通过产生单一氧气降解有机化合物的结果。这种方法由 C60 氨基富勒烯作为单线态氧的敏化剂和封装磁铁矿纳米粒子的 Fe3O4/SiO2/GeO2 组成。在紫外可见光下糠醇和亚甲基蓝的快速降解表明,C60 氨基富勒烯衍生物的这种辐照活性与单线态氧的光敏化有关。利用 C60/Fe3O4/SiO2/GeO2 系统产生的大量单氧在紫外/可见光照射下可有效氧化和灭活 MS-2 噬菌体。我们的研究结果还表明,可变表面对这些化合物的光催化行为非常有效。C60/Fe3O4/SiO2/GeO2复合材料还可以利用强磁场和光催化剂颗粒回收并重新应用。
{"title":"Synthesis of Nano C60-[Fe3O4/SiO2/GeO2] as Efficient Catalyst Disinfection","authors":"M. Monajjemi, F. Mollaamin, S. Shahriari, S. Mohammadi","doi":"10.1134/s1990793124700349","DOIUrl":"https://doi.org/10.1134/s1990793124700349","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The C<sub>60</sub>/Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/GeO<sub>2</sub> composite was synthesized containing core/shell/shell nanomaterial by layer/layer gel method. The C<sub>60</sub>/Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/GeO<sub>2</sub> composite was characterized by X-ray diffraction, field emission scanning electron microscopy fitted through scanning electron microscopy, energy dispersive X-ray spectroscopy, fourier transform infrared spectroscopy, transmission electron microscopy and UV-visible. Magnetic behavior of the synthesized product was evaluated by vibrating-sample magnetometer. The data exhibited that magnetite composites have been properly coated. This system can be applied for recycling photosensitizing way using solar energy for water disinfection. Results were reported and for degradation organic compounds via producing a single oxygen. This approach comprises C<sub>60</sub> amino fullerene as a sensitizer for singlet oxygenation and Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/GeO<sub>2</sub> encapsulating magnetite nanoparticles. Fast degradation of furfuryl alcohol and methylene blue under UV-visible light exhibit that this irradiation activity of C<sub>60</sub> amino fullerene-derivatives is related to the photosensitization of single oxygen. Significant single oxygen production using C<sub>60</sub>/Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/GeO<sub>2</sub> system causes the effective oxidation of and inactivation of MS-2 bacteriophage under UV/visible irradiation. Our results also exhibited that the variable surfaces were effective in photo-catalyst behavior of these compounds. C<sub>60</sub>/Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/GeO<sub>2</sub> composite can also be recovered and reapplied using a strong magnetic field and the photo-catalyst particles again.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214491","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700489
X. Yin, Z. Zhang, F. Zhang, Y. Chen
Abstract
In this study, polyaniline-derived carbon doped with nitrogen was synthesized through in-situ polymerization and high-temperature carbonization, using aniline as the raw material and ammonium persulfate as the initiator. The phase, morphology, and composition of polyaniline-derived carbon at different carbonization temperatures were characterized by thermogravimetric, transmission electron microscopy, fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, Raman, and Brunauer–Emmertt–Teller. The electromagnetic parameters of polyaniline-derived carbon with a filler content of 20 wt % were measured by a vector network analyzer, and the electromagnetic wave absorption performance was calculated using the transmission line method. The results showed that the samples had a porous morphology, and the specific surface area of polyaniline-derived carbon-650 and polyaniline-derived carbon-700 was up to 12 times greater than that of polyaniline. Furthermore, polyaniline-derived carbon-700 exhibited excellent electromagnetic wave absorption performance, with the best reflection loss at a thickness of 2.5 mm being –44.35 dB. The effective absorption bandwidth was 3.23 GHz (8.56–11.79 GHz). The effective absorption of C, X, and Ku band electromagnetic waves could be achieved by adjusting the coating thickness. The hybridization of N atoms and C atoms in polyaniline-derived carbon induced magnetism, and the synergistic effect with enhanced dielectric loss improved the electromagnetic loss capacity of the material, optimized impedance matching, and enhanced the electromagnetic wave absorption performance of polyaniline-derived carbon. The electromagnetic wave dissipation mechanism of polyaniline-derived carbon material mainly included dipole polarization, interface polarization, conductivity loss, and magnetic loss caused by N doping. The synthesized polyaniline-derived carbon is a potential electromagnetic wave absorbing material.
摘要 本研究以苯胺为原料,过硫酸铵为引发剂,通过原位聚合和高温碳化合成了掺氮的聚苯胺衍生碳。通过热重、透射电子显微镜、傅里叶变换红外光谱、X 射线光电子能谱、拉曼和布鲁瑙尔-埃默特-泰勒等方法对不同碳化温度下的聚苯胺衍生碳的相态、形貌和成分进行了表征。利用矢量网络分析仪测量了填料含量为 20 wt % 的聚苯胺衍生碳的电磁参数,并利用传输线法计算了其电磁波吸收性能。结果表明,样品具有多孔形态,聚苯胺衍生碳-650 和聚苯胺衍生碳-700 的比表面积是聚苯胺的 12 倍。此外,聚苯胺衍生碳-700 还具有优异的电磁波吸收性能,厚度为 2.5 毫米时的最佳反射损耗为 -44.35 dB。有效吸收带宽为 3.23 GHz(8.56-11.79 GHz)。通过调整涂层厚度,可实现对 C、X 和 Ku 波段电磁波的有效吸收。聚苯胺衍生碳中 N 原子和 C 原子的杂化诱导了磁性,与介质损耗增强的协同效应提高了材料的电磁损耗能力,优化了阻抗匹配,增强了聚苯胺衍生碳的电磁波吸收性能。聚苯胺衍生碳材料的电磁波耗散机理主要包括偶极极化、界面极化、电导损耗和掺杂 N 引起的磁损耗。合成的聚苯胺衍生碳是一种潜在的电磁波吸收材料。
{"title":"Absorption Properties of Porous Carbon Doped with Nitrogen Derived by Polyaniline","authors":"X. Yin, Z. Zhang, F. Zhang, Y. Chen","doi":"10.1134/s1990793124700489","DOIUrl":"https://doi.org/10.1134/s1990793124700489","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>In this study, polyaniline-derived carbon doped with nitrogen was synthesized through in-situ polymerization and high-temperature carbonization, using aniline as the raw material and ammonium persulfate as the initiator. The phase, morphology, and composition of polyaniline-derived carbon at different carbonization temperatures were characterized by thermogravimetric, transmission electron microscopy, fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, Raman, and Brunauer–Emmertt–Teller. The electromagnetic parameters of polyaniline-derived carbon with a filler content of 20 wt % were measured by a vector network analyzer, and the electromagnetic wave absorption performance was calculated using the transmission line method. The results showed that the samples had a porous morphology, and the specific surface area of polyaniline-derived carbon-650 and polyaniline-derived carbon-700 was up to 12 times greater than that of polyaniline. Furthermore, polyaniline-derived carbon-700 exhibited excellent electromagnetic wave absorption performance, with the best reflection loss at a thickness of 2.5 mm being –44.35 dB. The effective absorption bandwidth was 3.23 GHz (8.56–11.79 GHz). The effective absorption of C, X, and Ku band electromagnetic waves could be achieved by adjusting the coating thickness. The hybridization of N atoms and C atoms in polyaniline-derived carbon induced magnetism, and the synergistic effect with enhanced dielectric loss improved the electromagnetic loss capacity of the material, optimized impedance matching, and enhanced the electromagnetic wave absorption performance of polyaniline-derived carbon. The electromagnetic wave dissipation mechanism of polyaniline-derived carbon material mainly included dipole polarization, interface polarization, conductivity loss, and magnetic loss caused by N doping. The synthesized polyaniline-derived carbon is a potential electromagnetic wave absorbing material.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214473","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700581
M. N. Makhov
Abstract
The possibilities of increasing the acceleration ability (AA) of energetic materials by creating compositions combining high explosives (HEs) with a positive and negative oxygen balance are analyzed. For the calculations, three relatively new compounds are selected as HE-oxidizers: 3,6-dinitro-1,4-bis(trinitromethyl)-1,4-dihydropyrazolo[4,3-c]pyrazole; 4,4′5,5′-tetranitro-2,2′-bis(trinitromethyl)-2Н,2′Н-3,3′-bipyrazole; and 2-dinitromethyl-5-nitrotetrazole. HMX and CL-20 perform the function of HE-fuel. From the calculations it follows that the AA of HMX increases markedly with the addition of the mentioned oxidizers, and the introduction of oxidizers in the composition with CL-20 leads to a slight increase in AA.
摘要 分析了通过创造具有正负氧平衡的高能炸药(HE)组合物来提高高能材料加速能力(AA)的可能性。在计算中,选择了三种相对较新的化合物作为 HE 氧化剂:3,6-二硝基-1,4-双(三硝基甲基)-1,4-二氢吡唑并[4,3-c]吡唑;4,4′5,5′-四硝基-2,2′-双(三硝基甲基)-2Н,2′Н-3,3′-联吡唑;以及 2-二硝基甲基-5-硝基四氮唑。HMX 和 CL-20 起着高能燃料的作用。从计算结果可以看出,加入上述氧化剂后,HMX 的 AA 会明显增加,而在 CL-20 的成分中加入氧化剂后,AA 会略有增加。
{"title":"Acceleration Ability of Mixtures of Explosives with a Positive and Negative Oxygen Balance","authors":"M. N. Makhov","doi":"10.1134/s1990793124700581","DOIUrl":"https://doi.org/10.1134/s1990793124700581","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The possibilities of increasing the acceleration ability (AA) of energetic materials by creating compositions combining high explosives (HEs) with a positive and negative oxygen balance are analyzed. For the calculations, three relatively new compounds are selected as HE-oxidizers: 3,6-dinitro-1,4-bis(trinitromethyl)-1,4-dihydropyrazolo[4,3-c]pyrazole; 4,4′5,5′-tetranitro-2,2′-bis(trinitromethyl)-2Н,2′Н-3,3′-bipyrazole; and 2-dinitromethyl-5-nitrotetrazole. HMX and CL-20 perform the function of HE-fuel. From the calculations it follows that the AA of HMX increases markedly with the addition of the mentioned oxidizers, and the introduction of oxidizers in the composition with CL-20 leads to a slight increase in AA.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214449","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700635
D. N. Polyakov, V. V. Shumova, L. M. Vasilyak
Abstract
The parameters of the plasma of a low-pressure glow discharge in neon with microparticles, at which regions with equal values of the ion confinement efficiency in the cloud of microparticles are realized, are determined numerically. It is noted that such features are characteristic of dissipative synergetic systems controlled by the feedback. The simulation of a complex plasma of glow discharge in neon with microparticles shows that feedback in the plasma is realized through the source of the main losses of its energy—a cloud of microparticles. Controlling the discharge parameters by changing the concentration of microparticles in the cloud makes it possible to control the concentration of the ions in the plasma.
{"title":"Ion Confinement Efficiency in a Complex Plasma of Glow Discharge","authors":"D. N. Polyakov, V. V. Shumova, L. M. Vasilyak","doi":"10.1134/s1990793124700635","DOIUrl":"https://doi.org/10.1134/s1990793124700635","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The parameters of the plasma of a low-pressure glow discharge in neon with microparticles, at which regions with equal values of the ion confinement efficiency in the cloud of microparticles are realized, are determined numerically. It is noted that such features are characteristic of dissipative synergetic systems controlled by the feedback. The simulation of a complex plasma of glow discharge in neon with microparticles shows that feedback in the plasma is realized through the source of the main losses of its energy—a cloud of microparticles. Controlling the discharge parameters by changing the concentration of microparticles in the cloud makes it possible to control the concentration of the ions in the plasma.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214474","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700465
M. Monajjemi, F. Mollaamin, S. Shahriari, Z. Khalaj, H. Sakhaeinia, A. Alihosseini
Abstract
Nano-Boron nitride compounds have displayed a great potential as anode materials for lithium ion batteries (LIBs) due to their unique structural, mechanical, and electrical properties. The measured reversible lithium ion capacities of Graphene/(h-BN)2/Graphene(G/h-BN/G) based anodes are considerably improved compared to the conventional graphite-based anodes. In this study, the boron nitride sheet has been localized inside the graphene as an option to enhance the electrochemical ratio. Additionally, we have found the structure of G/h-BN/G can improve the capacity and electrical transport in C-BN sheets-based LIBs. Therefore, the modification of BN sheet and design of G/h-BN/G structure provide strategies for improving the performance of BN-G-based anodes. G/h-BN/G could also be assembled into free-standing electrodes without any binder or current collector, which will lead to increase specific energy density for the overall battery design. Finally, we fabricated a novel LIBs and tested our method and we found this system in similar condition using G/h-BN/G increases the voltage and amperage in LIBs. For increasing the capacity, voltage, and amperage for LIBs the composite materials play a strong role. Any theoretical studies in electrode materials (anode and cathode) of lithium ion batteries and subsequent experimental testing with the results of theory can help us to fabricate powerful batteries with low cost. Using Graphene/(h-BN)2/ Graphene(G/h-BN/G) based anodes with a suitable composite for cathode materials exhibit high voltages and amperages compared with similar conditions of the previous LIBs.
{"title":"Interaction of Nano-Boron Nitride Sheets with Electrodes in Lithium Ion Battery for Increasing Voltage and Amperage","authors":"M. Monajjemi, F. Mollaamin, S. Shahriari, Z. Khalaj, H. Sakhaeinia, A. Alihosseini","doi":"10.1134/s1990793124700465","DOIUrl":"https://doi.org/10.1134/s1990793124700465","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Nano<b>-</b>Boron nitride compounds have displayed a great potential as anode materials for lithium ion batteries (LIBs) due to their unique structural, mechanical, and electrical properties. The measured reversible lithium ion capacities of Graphene/(h-BN)<sub>2</sub>/Graphene(G/h-BN/G) based anodes are considerably improved compared to the conventional graphite-based anodes. In this study, the boron nitride sheet has been localized inside the graphene as an option to enhance the electrochemical ratio. Additionally, we have found the structure of G/h-BN/G can improve the capacity and electrical transport in C-BN sheets-based LIBs. Therefore, the modification of BN sheet and design of G/h-BN/G structure provide strategies for improving the performance of BN-G-based anodes. G/h-BN/G could also be assembled into free-standing electrodes without any binder or current collector, which will lead to increase specific energy density for the overall battery design. Finally, we fabricated a novel LIBs and tested our method and we found this system in similar condition using G/h-BN/G increases the voltage and amperage in LIBs. For increasing the capacity, voltage, and amperage for LIBs the composite materials play a strong role. Any theoretical studies in electrode materials (anode and cathode) of lithium ion batteries and subsequent experimental testing with the results of theory can help us to fabricate powerful batteries with low cost. Using Graphene/(h-BN)<sub>2</sub>/ Graphene(G/h-BN/G) based anodes with a suitable composite for cathode materials exhibit high voltages and amperages compared with similar conditions of the previous LIBs.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214472","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700490
V. Dharmawat, J. Gyal, P. Sutar
Abstract
Polyaniline is a conducting polymer with a wide variety of applications. In the recent years, exploring the different avenues for the synthesis of polyaniline has gained immense popularity among the researchers. This study focuses on the experimental investigation and subsequent data modeling to determine the kinetics of chemical (oxidative) polymerization of aniline with ammonium persulfate as an oxidant in aqueous hydrochloric acid solutions at 277 K. The concentration of the polyaniline formed was determined using colorimetry. The effect of different initial concentrations of oxidant/monomer from 0.010–0.025 M on the rate of polymerization was observed. The polymerization kinetics at various initial oxidant to monomer mole ratios from 1–2.5 was also investigated. Using a well-established kinetic rate expression, the reaction rate constants were determined that best fitted the experimental data. Further, the polyaniline concentrations were predicted using the kinetic parameters with an absolute average relative deviation ranging from 4 to 17%.
摘要 聚苯胺是一种用途广泛的导电聚合物。近年来,探索合成聚苯胺的不同途径受到了研究人员的广泛欢迎。本研究主要通过实验研究和随后的数据建模来确定在 277 K 的盐酸水溶液中以过硫酸铵为氧化剂进行苯胺化学(氧化)聚合的动力学。观察了 0.010-0.025 M 的不同氧化剂/单体初始浓度对聚合速率的影响。此外,还研究了不同初始氧化剂与单体摩尔比(1-2.5)下的聚合动力学。利用成熟的动力学速率表达式,确定了最符合实验数据的反应速率常数。此外,还利用动力学参数预测了聚苯胺的浓度,其绝对平均相对偏差在 4% 到 17% 之间。
{"title":"Experimental Study and Kinetic Modeling of Aniline Polymerization","authors":"V. Dharmawat, J. Gyal, P. Sutar","doi":"10.1134/s1990793124700490","DOIUrl":"https://doi.org/10.1134/s1990793124700490","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Polyaniline is a conducting polymer with a wide variety of applications. In the recent years, exploring the different avenues for the synthesis of polyaniline has gained immense popularity among the researchers. This study focuses on the experimental investigation and subsequent data modeling to determine the kinetics of chemical (oxidative) polymerization of aniline with ammonium persulfate as an oxidant in aqueous hydrochloric acid solutions at 277 K. The concentration of the polyaniline formed was determined using colorimetry. The effect of different initial concentrations of oxidant/monomer from 0.010–0.025 M on the rate of polymerization was observed. The polymerization kinetics at various initial oxidant to monomer mole ratios from 1–2.5 was also investigated. Using a well-established kinetic rate expression, the reaction rate constants were determined that best fitted the experimental data. Further, the polyaniline concentrations were predicted using the kinetic parameters with an absolute average relative deviation ranging from 4 to 17%.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214488","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700544
M. L. Busurina, A. E. Sytschev, S. G. Vadchenko, A. V. Karpov
Abstract
Combustion in the 2Co–Ti–Al system is observed by high-speed video recording. It is established that combustion occurs in the frontal mode, and the process parameters are determined. The maximum rate of the increase in the combustion temperature from the moment of initiation to the maximum value reached is 2.7 × 104 K/s. The front propagation velocity calculated from the video recording is 9.4 cm/s. The microhotspot mode of combustion of the reaction composition is found. The temperature dependencies of the electrical resistivity and magnetic moment of the single-phase Co2TiAl product synthesized in the combustion mode are measured. For the synthesized Co2TiAl sample, the Curie temperature is TC = 120 ± 5 K and the electrical resistivity at room temperature is 1.35 μOhm m. It is shown that the electrical and magnetic properties of the Co2TiAl alloy obtained in the combustion mode are similar to those of alloys obtained by arc melting.
{"title":"Combustion Peculiarities in the 2Co–Ti–Al System and Properties of the Half-Metallic Ferromagnetic Heusler Alloy Co2TiAl","authors":"M. L. Busurina, A. E. Sytschev, S. G. Vadchenko, A. V. Karpov","doi":"10.1134/s1990793124700544","DOIUrl":"https://doi.org/10.1134/s1990793124700544","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Combustion in the 2Co–Ti–Al system is observed by high-speed video recording. It is established that combustion occurs in the frontal mode, and the process parameters are determined. The maximum rate of the increase in the combustion temperature from the moment of initiation to the maximum value reached is 2.7 × 10<sup>4</sup> K/s. The front propagation velocity calculated from the video recording is 9.4 cm/s. The microhotspot mode of combustion of the reaction composition is found. The temperature dependencies of the electrical resistivity and magnetic moment of the single-phase Co<sub>2</sub>TiAl product synthesized in the combustion mode are measured. For the synthesized Co<sub>2</sub>TiAl sample, the Curie temperature is <i>T</i><sub><i>C</i></sub> = 120 ± 5 K and the electrical resistivity at room temperature is 1.35 μOhm m. It is shown that the electrical and magnetic properties of the Co<sub>2</sub>TiAl alloy obtained in the combustion mode are similar to those of alloys obtained by arc melting.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214446","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700350
G. M. Nazin, A. I. Kazakov, A. V. Nabatova, N. N. Volkova, G. V. Shilov
Abstract
The kinetics of the thermal decomposition of the FOX-7 compound at 155°C under semiopen conditions in vessels with a volume of V = 0.8–0.9 cm3 in an air atmosphere and the degree of filling of the vessel with substances m/V = 0.03–0.72 g/cm3 has been studied by the gravimetric method. It is found that at the largest m/V, an induction period is observed in the early stages of the reaction, during which the rate of mass loss of the sample is lower by a factor of ten than the rate of decomposition of FOX-7 in the solid phase. With a decrease in m/V, the induction period is shortened and at m/V = 0.04 g/cm3 it disappears altogether. The appearance of the induction period is due to the fact that nitronic acid, which is the only product of the first stage of decomposition of FOX-7, is well adsorbed on the surface of FOX-7 crystals. At the same time, it almost completely loses its reactivity. As a result, until the end of the adsorption process, the decomposition of FOX-7 proceeds without the formation of gaseous products, and the reaction rate is not fixed by the gravimetric method suitable for studying the kinetics of the reaction at the early stages of decomposition of FOX-7.
{"title":"Kinetics of Decomposition of 1,1-Diamino-2,2-dinitroethylene (FOX-7). 6. The Induction Period in the Early Stages of a Reaction in the Solid State","authors":"G. M. Nazin, A. I. Kazakov, A. V. Nabatova, N. N. Volkova, G. V. Shilov","doi":"10.1134/s1990793124700350","DOIUrl":"https://doi.org/10.1134/s1990793124700350","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The kinetics of the thermal decomposition of the FOX-7 compound at 155°C under semiopen conditions in vessels with a volume of <i>V</i> = 0.8–0.9 cm<sup>3</sup> in an air atmosphere and the degree of filling of the vessel with substances <i>m</i>/<i>V</i> = 0.03–0.72 g/cm<sup>3</sup> has been studied by the gravimetric method. It is found that at the largest m/V, an induction period is observed in the early stages of the reaction, during which the rate of mass loss of the sample is lower by a factor of ten than the rate of decomposition of FOX-7 in the solid phase. With a decrease in <i>m</i>/<i>V</i>, the induction period is shortened and at <i>m</i>/<i>V</i> = 0.04 g/cm<sup>3</sup> it disappears altogether. The appearance of the induction period is due to the fact that nitronic acid, which is the only product of the first stage of decomposition of FOX-7, is well adsorbed on the surface of FOX-7 crystals. At the same time, it almost completely loses its reactivity. As a result, until the end of the adsorption process, the decomposition of FOX-7 proceeds without the formation of gaseous products, and the reaction rate is not fixed by the gravimetric method suitable for studying the kinetics of the reaction at the early stages of decomposition of FOX-7.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214436","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700507
F. Mollaamin, M. Monajjemi
Abstract
This article aims to investigate the structural, electromagnetic, and thermodynamic properties of toxic gases molecules including nitric oxide (NO), nitrogen oxide (NO2), and nitrous oxide (N2O) during adsorption on the surface of boron nitride (B5N10) nanocage which has been decorated with aluminum (Al), carbon (C) and silicon(Si) atoms. The results denote that (NO,NO2,N2O) ↔ (Al, C, Si)–B4N10 are stable complexes with the most stable adsorption site being the center of the cage ring. The partial density of states can estimate a certain charge assembly between gas molecules and (Al, C, Si)–B4N10 which indicates the competition among dominant complexes of metallic (Al), nonmetallic (C), metalloid/semiconductor (Si). Based on nuclear quadrupole resonance analysis, carbon-doped on B4N10 has shown the lowest fluctuation in electric potential and the highest negative atomic charge including 0.1190, 0.1844, and 0.1312 coulomb in NO ↔ C–B4N10, NO2 in NO ↔ C–B4N10, and N2O in NO ↔ C–B4N10, respectively, can be an appropriate option with the highest tendency for electron accepting in the adsorption process. Furthermore, the reported results of nuclear magnetic resonance spectroscopy have exhibited that the efficiency of electron accepting for doping atoms on the (Al, C, Si)–B4N10 through gas molecules adsorption can be ordered as: Si > Al ( gg ) C that indicates the power of covalent bond between aluminum, carbon, silicon and these NO, NO2, N2O towards toxic gas removal from air. In fact, the adsorption of gas molecules can introduce spin polarization on the (Al, C, Si)–B4N10 which indicates that these surfaces might be applied as magnetic scavenging surface as a gas detector. Regarding infrared spectroscopy, doped nanocages of C–B4N10 and Si–B4N10 for NO, Al–B4N10 and Si–B4N10 for NO2, Al–B4N10 and C–B4N10 for N2O, respectively, have the most fluctuations and the highest adsorption tendency for gas molecules which can address specific questions on the individual effect of charge carriers (gas molecule-nanocage), as well as doping atoms on the overall structure. Based on the results of (Delta G_{{{text{ads}}}}^{{text{o}}}) amounts in this research, the maximum efficiency of Al, C, Si atoms doping of B5N10 for gas molecules adsorption depends on the covalent bond between NO, NO2, N2O molecules and (Al, C, Si)–B4N10 as a potent sensor for air pollution removal.
摘要 本文旨在研究一氧化氮(NO)、氧化氮(NO2)和氧化亚氮(N2O)等有毒气体分子在装饰有铝(Al)、碳(C)和硅(Si)原子的氮化硼(B5N10)纳米笼表面吸附时的结构、电磁和热力学性质。结果表明,(NO,NO2,N2O)↔(Al,C,Si)-B4N10 是稳定的配合物,最稳定的吸附位点是笼环的中心。偏态密度可以估算出气体分子与(Al, C, Si)-B4N10 之间的某种电荷集合,这表明金属(Al)、非金属(C)、金属类/半导体(Si)的主要络合物之间存在竞争。根据核四极共振分析,掺碳的 B4N10 的电势波动最小,负原子电荷最高,在 NO ↔ C-B4N10 中分别为 0.1190、0.1844 和 0.1312 库仑,在 NO ↔ C-B4N10 中为 NO2,在 NO ↔ C-B4N10 中为 N2O,可以作为吸附过程中接受电子倾向最高的合适选择。此外,已报道的核磁共振光谱结果表明,通过气体分子吸附掺杂在(Al、C、Si)-B4N10 上的原子接受电子的效率可排序为Si > Al ( gg ) C 表明铝、碳、硅与这些 NO、NO2、N2O 之间的共价键对去除空气中有毒气体的作用力。事实上,气体分子的吸附可以在(铝、碳、硅)-B4N10 上引入自旋极化,这表明这些表面可以用作磁性清除表面,作为气体探测器。在红外光谱方面,掺杂C-B4N10和Si-B4N10的纳米笼对NO,掺杂Al-B4N10和Si-B4N10的纳米笼对NO2,掺杂Al-B4N10和C-B4N10的纳米笼对N2O,分别具有最大的波动性和最高的气体分子吸附倾向,这可以解决电荷载体(气体分子-纳米笼)以及掺杂原子对整体结构的单独影响的具体问题。根据本研究中的(△ G_{{text{ads}}}}^{{text{o}}})量结果,B5N10中Al、C、Si原子掺杂对气体分子的最大吸附效率取决于NO、NO2、N2O分子与(Al、C、Si)-B4N10之间的共价键,而(Al、C、Si)-B4N10是去除空气污染的有效传感器。
{"title":"Selectivity and Sensitivity Evaluation of Embedded BN-Nanostructure as a Gas Detector for Air Pollution Scavenging: a Theoretical Study","authors":"F. Mollaamin, M. Monajjemi","doi":"10.1134/s1990793124700507","DOIUrl":"https://doi.org/10.1134/s1990793124700507","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>This article aims to investigate the structural, electromagnetic, and thermodynamic properties of toxic gases molecules including nitric oxide (NO), nitrogen oxide (NO<sub>2</sub>), and nitrous oxide (N<sub>2</sub>O) during adsorption on the surface of boron nitride (B<sub>5</sub>N<sub>10</sub>) nanocage which has been decorated with aluminum (Al), carbon (C) and silicon(Si) atoms. The results denote that (NO,NO<sub>2</sub>,N<sub>2</sub>O) ↔ (Al, C, Si)–B<sub>4</sub>N<sub>10</sub> are stable complexes with the most stable adsorption site being the center of the cage ring. The partial density of states can estimate a certain charge assembly between gas molecules and (Al, C, Si)–B<sub>4</sub>N<sub>10</sub> which indicates the competition among dominant complexes of metallic (Al), nonmetallic (C), metalloid/semiconductor (Si). Based on nuclear quadrupole resonance analysis, carbon-doped on B<sub>4</sub>N<sub>10</sub> has shown the lowest fluctuation in electric potential and the highest negative atomic charge including 0.1190, 0.1844, and 0.1312 coulomb in NO ↔ C–B<sub>4</sub>N<sub>10</sub>, NO<sub>2</sub> in NO ↔ C–B<sub>4</sub>N<sub>10</sub>, and N<sub>2</sub>O in NO ↔ C–B<sub>4</sub>N<sub>10</sub>, respectively, can be an appropriate option with the highest tendency for electron accepting in the adsorption process. Furthermore, the reported results of nuclear magnetic resonance spectroscopy have exhibited that the efficiency of electron accepting for doping atoms on the (Al, C, Si)–B<sub>4</sub>N<sub>10</sub> through gas molecules adsorption can be ordered as: Si > Al <span>( gg )</span> C that indicates the power of covalent bond between aluminum, carbon, silicon and these NO, NO<sub>2</sub>, N<sub>2</sub>O towards toxic gas removal from air. In fact, the adsorption of gas molecules can introduce spin polarization on the (Al, C, Si)–B<sub>4</sub>N<sub>10</sub> which indicates that these surfaces might be applied as magnetic scavenging surface as a gas detector. Regarding infrared spectroscopy, doped nanocages of C–B<sub>4</sub>N<sub>10</sub> and Si–B<sub>4</sub>N<sub>10</sub> for NO, Al–B<sub>4</sub>N<sub>10</sub> and Si–B<sub>4</sub>N<sub>10</sub> for NO<sub>2</sub>, Al–B<sub>4</sub>N<sub>10</sub> and C–B<sub>4</sub>N<sub>10</sub> for N<sub>2</sub>O, respectively, have the most fluctuations and the highest adsorption tendency for gas molecules which can address specific questions on the individual effect of charge carriers (gas molecule-nanocage), as well as doping atoms on the overall structure. Based on the results of <span>(Delta G_{{{text{ads}}}}^{{text{o}}})</span> amounts in this research, the maximum efficiency of Al, C, Si atoms doping of B<sub>5</sub>N<sub>10</sub> for gas molecules adsorption depends on the covalent bond between NO, NO<sub>2</sub>, N<sub>2</sub>O molecules and (Al, C, Si)–B<sub>4</sub>N<sub>10</sub> as a potent sensor for air pollution removal.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214478","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}
Pub Date : 2024-09-11DOI: 10.1134/s1990793124700556
D. S. Vasilyev, B. S. Seplyarskii, N. A. Kochetov
Abstract
The influence of mechanical activation (MA) of the (100 – x)(Ti + C) + x(Ti + 2B) system on the characteristics of combustion of samples with different macrostructures—pressed compacts with a relative density of 0.53–0.6 and bulk density granules 0.6–1.6 mm in size—is studied. It is found that MA of powders leads to a gradual decrease in the combustion rate of pressed samples as the Ti + 2B content in the mixtures increases (a descending dependence), while an increase in the Ti + 2B content in compacts of nonactivated powders leads to an increase in the combustion rate (an ascending dependence). The obtained results contradict the theoretical ideas about the influence of MA on the combustion process, according to which the combustion rate should increase. One of the important factors influencing the change in the combustion rate is the release of impurity gases (IGs). For the first time, the influence of MA on the combustion patterns of granular mixtures is experimentally determined. It is found that the burning rates of granular mixtures are higher than those of powder mixtures for all the compositions studied. It is shown that granulated mixtures from an activated powder have a combustion rate that is on average 3 times higher than granules from a nonactivated powder, and the dependence of the combustion rate on the mass content of Ti + 2B has a local minimum, which is probably related to the peculiarities of the MA process.
摘要 研究了 (100 - x)(Ti + C) + x(Ti + 2B) 体系的机械活化(MA)对不同宏观结构样品(相对密度为 0.53-0.6 的压制样品和体积密度为 0.6-1.6 毫米的颗粒)燃烧特性的影响。研究发现,随着混合物中 Ti + 2B 含量的增加,粉末的 MA 会导致压制样品的燃烧速率逐渐降低(递减关系),而非活化粉末压制物中 Ti + 2B 含量的增加会导致燃烧速率的增加(递增关系)。所得结果与 MA 对燃烧过程影响的理论观点相矛盾,后者认为燃烧速率应该增加。影响燃烧速率变化的重要因素之一是杂质气体(IGs)的释放。我们首次通过实验确定了 MA 对颗粒混合物燃烧模式的影响。研究发现,在所有研究成分中,颗粒混合物的燃烧速率均高于粉末混合物。结果表明,活化粉末颗粒混合物的燃烧速率平均是未活化粉末颗粒的 3 倍,而且燃烧速率与 Ti + 2B 质量含量的关系有一个局部最小值,这可能与 MA 过程的特殊性有关。
{"title":"Influence of Mechanical Activation and Impurity Gas Release on the Macrokinetics of Combustion and the Product Structure in the Ti–C–B System for Pressed Compacts and Granulated Mixtures","authors":"D. S. Vasilyev, B. S. Seplyarskii, N. A. Kochetov","doi":"10.1134/s1990793124700556","DOIUrl":"https://doi.org/10.1134/s1990793124700556","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The influence of mechanical activation (MA) of the (100 – <i>x</i>)(Ti + C) + <i>x</i>(Ti + 2B) system on the characteristics of combustion of samples with different macrostructures—pressed compacts with a relative density of 0.53–0.6 and bulk density granules 0.6–1.6 mm in size—is studied. It is found that MA of powders leads to a gradual decrease in the combustion rate of pressed samples as the Ti + 2B content in the mixtures increases (a descending dependence), while an increase in the Ti + 2B content in compacts of nonactivated powders leads to an increase in the combustion rate (an ascending dependence). The obtained results contradict the theoretical ideas about the influence of MA on the combustion process, according to which the combustion rate should increase. One of the important factors influencing the change in the combustion rate is the release of impurity gases (IGs). For the first time, the influence of MA on the combustion patterns of granular mixtures is experimentally determined. It is found that the burning rates of granular mixtures are higher than those of powder mixtures for all the compositions studied. It is shown that granulated mixtures from an activated powder have a combustion rate that is on average 3 times higher than granules from a nonactivated powder, and the dependence of the combustion rate on the mass content of Ti + 2B has a local minimum, which is probably related to the peculiarities of the MA process.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142214471","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}