Reaction Kinetics, Mechanisms and Catalysis最新文献

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Metallic silver modified SnO2–Zn2SnO4 cube nanomaterials for improved photocatalytic degradation of rhodamine B 改进罗丹明 B 光催化降解的金属银修饰 SnO2-Zn2SnO4 立方体纳米材料
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-30 DOI: 10.1007/s11144-024-02682-2
Shuyun Huang, Huanhuan Xu, Yue Ouyang, Yun Zhou, Junwei Xu, Jianjun Liu
{"title":"Metallic silver modified SnO2–Zn2SnO4 cube nanomaterials for improved photocatalytic degradation of rhodamine B","authors":"Shuyun Huang, Huanhuan Xu, Yue Ouyang, Yun Zhou, Junwei Xu, Jianjun Liu","doi":"10.1007/s11144-024-02682-2","DOIUrl":"https://doi.org/10.1007/s11144-024-02682-2","url":null,"abstract":"<p>To modify the wide bandgap and intrinsic high recombination rate of photogenerated charge carriers of Zn<sub>2</sub>SnO<sub>4</sub> photocatalysts, Ag/SnO<sub>2</sub>–Zn<sub>2</sub>SnO<sub>4</sub> composites were prepared by depositing Ag nanoparticles onto cube-shaped SnO<sub>2</sub>–Zn<sub>2</sub>SnO<sub>4</sub> nanomaterials via photoreduction. The composites were characterized by XRD, SEM, EDS, TEM, XPS, and UV–Vis DRS, and their photocatalytic degradation effect on rhodamine B (Rh B) for different Ag loadings was studied, with 10%Ag/SnO<sub>2</sub>–Zn<sub>2</sub>SnO<sub>4</sub> showing the greatest effect. The UV photocatalytic degradation rate of the Rh B solution reaches 100% after 12 min of visible light irradiation and 91% after five cycles. The free radical trapping agent experiment indicated that the active substances of Ag/SnO<sub>2</sub>–Zn<sub>2</sub>SnO<sub>4</sub> photocatalysis are ·O<sub>2</sub><sup>−</sup> and h<sup>+</sup>. Further, photoelectrochemical tests revealed the higher electron–hole separation efficiency and faster charge transfer rate of the composites, enhancing the formation of photoproduced carriers and photocatalytic activity.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872330","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
Enhanced methyl orange removal in aqueous solutions using bio-catalytic metal oxides derived from pomegranate peel waste: a green chemistry evaluation 利用从石榴皮废料中提取的生物催化金属氧化物提高水溶液中甲基橙的去除率:绿色化学评估
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-30 DOI: 10.1007/s11144-024-02685-z
Harez Rashid Ahmed, Mohammed Ali Salih, Nian N. M. Agha, Diary Ibrahim Tofiq, Mozart A. H. Karim, Kawan F. Kayani, Anu Mary Ealias, Rebaz F. Hamarawf, Bakhtyar K. Aziz, Lanya Omer Khatab
{"title":"Enhanced methyl orange removal in aqueous solutions using bio-catalytic metal oxides derived from pomegranate peel waste: a green chemistry evaluation","authors":"Harez Rashid Ahmed, Mohammed Ali Salih, Nian N. M. Agha, Diary Ibrahim Tofiq, Mozart A. H. Karim, Kawan F. Kayani, Anu Mary Ealias, Rebaz F. Hamarawf, Bakhtyar K. Aziz, Lanya Omer Khatab","doi":"10.1007/s11144-024-02685-z","DOIUrl":"https://doi.org/10.1007/s11144-024-02685-z","url":null,"abstract":"<p>This study investigates the potential of pomegranate peel (PP) as a raw material for synthesizing a novel biocatalyst metal oxide (BCMO) aimed at the efficient removal of methyl orange (MO) dye from aqueous solutions. The adsorption capacities of both PP and BCMO were systematically evaluated. PP was subjected to inorganic salt treatment and calcination to enhance its adsorption capacity and increase attractive forces at the nanoparticle level. The surface characteristics of the biocatalyst were thoroughly examined using FTIR, SEM, BET analysis, and EDX spectroscopy, revealing the development of a crystalline structure following treatment with Mg(NO<sub>3</sub>)<sub>2</sub>⋅6H<sub>2</sub>O, along with observable changes in surface morphology and elemental composition. Under standard conditions, BCMO demonstrated a significant increase in efficiency, achieving 99.80% removal for 100 mg/L of methyl orange, compared to 44% for untreated PP at 50 mg/L. Kinetic analysis indicated a transition from pseudo-first-order to pseudo-second-order, signifying a shift from physical to chemical adsorption. This transition resulted in a substantial reduction in equilibrium time and a significant increase in maximum adsorption capacity from 17.3637 to 176.686 mg/g. Furthermore, the catalytic efficiency of BCMO was assessed over seven cycles, showing only a minor 5% reduction in efficiency, indicating its potential for practical applications. The environmental sustainability of the road was assessed using the AGREE and BAGI indicators, both of which are considered exemplary measures of environmental friendliness.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872329","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
Mesoporous BiCl3 immobilized silicic acid as a stabilized Lewis acid catalyst for the selective synthesis of 4-nitro-o-xylene from the nitration of o-xylene with NO2 under mild conditions 介孔固定化 BiCl3 硅酸作为稳定的路易斯酸催化剂,用于在温和条件下从邻二甲苯与二氧化氮的硝化反应中选择性合成 4-硝基邻二甲苯
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-30 DOI: 10.1007/s11144-024-02698-8
Jiaqi Yan, Weiwen Fu, Kuiyi You, Fangfang Zhao, He’an Luo
{"title":"Mesoporous BiCl3 immobilized silicic acid as a stabilized Lewis acid catalyst for the selective synthesis of 4-nitro-o-xylene from the nitration of o-xylene with NO2 under mild conditions","authors":"Jiaqi Yan, Weiwen Fu, Kuiyi You, Fangfang Zhao, He’an Luo","doi":"10.1007/s11144-024-02698-8","DOIUrl":"https://doi.org/10.1007/s11144-024-02698-8","url":null,"abstract":"<p>A solvent-free, acid-free, and efficient strategy was developed for the selective preparation of 4-nitro-o-xylene (4-NOX) from the catalytic nitration of o-xylene with NO<sub>2</sub> mediated O<sub>2</sub> over BiCl<sub>3</sub> immobilized silicic acid catalyst (BiCl<sub>3</sub>-SA). The results indicated that the Lewis acid BiCl<sub>3</sub>-SA conjoined NO<sub>2</sub>–O<sub>2</sub> as a composite system synergistically promotes o-xylene conversion and 4-NOX selectivity. Under optimal conditions, 52.4% of o-xylene conversion with 68.4% 4-NOX selectivity was obtained at 35 °C. The characterization demonstrated that the highly dispersed metal Bi species form stable chemical bonds with the SA surface, which can effectively inhibit the loss of metal species and generate abundant acid sites. The developed catalyst is not only inexpensive but also has excellent stability and catalytic performance. Furthermore, a plausible mechanism for the catalytic nitration of o-xylene using NO<sub>2</sub> as a nitration agent over BiCl<sub>3</sub>-SA was proposed. This work provides an eco-friendly and practical protocol for improving desirable 4-NOX selectivity and reducing the discharge of acidic wastewater, with potential application prospects.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141872327","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
Optimizing methanesulfonic acid leaching for efficient extraction of magnesia from a Nigerian antigorite-rich dolomite ore 优化甲磺酸浸出法,从尼日利亚富含锑的白云石矿中高效提取氧化镁
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-24 DOI: 10.1007/s11144-024-02693-z
Ayo F. Balogun, Alafara A. Baba
{"title":"Optimizing methanesulfonic acid leaching for efficient extraction of magnesia from a Nigerian antigorite-rich dolomite ore","authors":"Ayo F. Balogun, Alafara A. Baba","doi":"10.1007/s11144-024-02693-z","DOIUrl":"https://doi.org/10.1007/s11144-024-02693-z","url":null,"abstract":"<p>Dissolution of a Nigerian antigorite-rich dolomite ore in methanesulfonic acid (MSA) solution for its optimal industrial application was investigated. The impact of the acid concentration, reaction temperature, particle diameter as well as reaction time on the rate of the ore dissolution was examined. The magnesium recovery was 97.2% at the optimal conditions: 2.5 mol/L MSA, solid/liquid 10 g/L, 56 µm in 2 h, and reaction temperature of 75 ºC<b>.</b> According to the shrinking core model, test results indicated that mass diffusion was the controlling step of the overall reaction kinetics. The activation energy of 11.26 kJ mol<sup>−1</sup> gives support to this assertion. The correlation coefficient value of (⁓0.98) indicates that the workability of the proposed kinetic model is highly effective or functional. At optimal conditions, a high-purity MgO product was obtained.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141773531","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
Optical, dielectric and photoelectrochemical performances of the CeO2/silicon nanowire system: Studying the silicon nanowire length effect on the photodegradation of rhodamine B 二氧化铈/硅纳米线系统的光学、介电和光电化学性能:研究硅纳米线长度对罗丹明 B 光降解的影响
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-20 DOI: 10.1007/s11144-024-02684-0
K. Derkaoui, T. Hadjersi, K. Boukhouidem, A. M. Djaballah, C. Belabed, S. Friha, S. Naama, M. Kechouane, M. Trari
{"title":"Optical, dielectric and photoelectrochemical performances of the CeO2/silicon nanowire system: Studying the silicon nanowire length effect on the photodegradation of rhodamine B","authors":"K. Derkaoui, T. Hadjersi, K. Boukhouidem, A. M. Djaballah, C. Belabed, S. Friha, S. Naama, M. Kechouane, M. Trari","doi":"10.1007/s11144-024-02684-0","DOIUrl":"https://doi.org/10.1007/s11144-024-02684-0","url":null,"abstract":"<p>In this study, we explore the advanced optical and dielectric properties of cerium dioxide nanoparticles combined with silicon nanowire (CeO<sub>2</sub>NP/SiNW) composites. Utilizing diffuse reflectance spectra (R(λ)), we extracted key parameters such as the extinction coefficient (k), refractive index (n), electrical conductivity (σ<sub>elc</sub>), optical conductivity (σ<sub>opt</sub>), and dissipation factor (tan δ) within the spectral range of 330–2000 nm. Capacitance measurements revealed a p-type conduction mechanism with a flat band potential (E<sub>fb</sub>) of − 0.02 V. X-ray diffraction (XRD) analysis confirmed the cubic phase of the CeO<sub>2</sub>NPs, while photoluminescence (PL) studies exhibited a broad emission peak at approximately 680 nm. The morphology of the CeO<sub>2</sub>NP/SiNW composites was meticulously analyzed using scanning electron microscopy (SEM), focusing on variations due to different SiNW etching times. Critically, the impact of SiNW length on the photodegradation efficiency of Rhodamine B was evaluated, demonstrating a remarkable 100% degradation rate for nanowires with a length of 31.52 µm. This work underscores the importance of comprehensively studying the optical, dielectric, and photoelectrochemical properties to optimize the degradation of Rhodamine B.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740190","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
Theoretical screening of double-atom metals anchored on defective boron nitride for N2 reduction 锚定在缺陷氮化硼上的双原子金属用于还原 N2 的理论筛选
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-19 DOI: 10.1007/s11144-024-02691-1
Xin Lian, Xinlin Tang, Haiyue Liao, Wenlong Guo, Yunhuai Zhang, Guangyong Gao
{"title":"Theoretical screening of double-atom metals anchored on defective boron nitride for N2 reduction","authors":"Xin Lian, Xinlin Tang, Haiyue Liao, Wenlong Guo, Yunhuai Zhang, Guangyong Gao","doi":"10.1007/s11144-024-02691-1","DOIUrl":"https://doi.org/10.1007/s11144-024-02691-1","url":null,"abstract":"<p>Density function theory (DFT) calculations are employed to investigate double transition metal atoms anchored on the defective boron nitride for N<sub>2</sub> reduction in this work. By comparing the stability, N<sub>2</sub> adsorption energy, selectivity and activity of NRR, Mn<sub>2</sub>@d-BN with N defect, and TM<sub>2</sub>@d-BN (TM = Fe, V, Co and Mn) with B defect are selected as candidates. Moreover, the result shows that Mn dimer anchored on BN with B defect exhibit excellent catalytic performance for nitrogen reduction via alternating mechanism, with the potential of − 0.44 V. With regard to this work, we provide a screening scheme to explore highly efficient double-atom metals catalysts for the electrocatalytic nitrogen reduction reaction.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740102","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
Chromium and nickel exclusion from contaminated water by biomass based carbon microsheet 利用基于生物质的碳微片排除受污染水中的铬和镍
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-18 DOI: 10.1007/s11144-024-02688-w
Madhur Kant, Mousumi Sen, Fehmeeda Khatoon
{"title":"Chromium and nickel exclusion from contaminated water by biomass based carbon microsheet","authors":"Madhur Kant, Mousumi Sen, Fehmeeda Khatoon","doi":"10.1007/s11144-024-02688-w","DOIUrl":"https://doi.org/10.1007/s11144-024-02688-w","url":null,"abstract":"<p>In the present investigation, biomass-based carbon microsheets were synthesized using melamine and corn cob powder as carbon precursors. Three adsorbents were prepared: Carbon microsheets 500 (CMS-500), biomass-based carbon microsheets (BCMS-500), and BCMS-F-500, which were characterized using different analytical techniques. Synthesized adsorbents were optimized for simultaneous adsorption of Ni(II) and Cr(VI) from an aqueous solution. Adsorption was optimized by varying the values of operating parameters, including reaction pH, adsorbent and adsorbate concentration, temperature, and contact time. Maximum adsorption of Cr(VI) was achieved at pH 2 and of Ni(II) was achieved at pH 6 using a 0.5 g/L adsorbent dose and 20 mg/L for each metal concentration. The adsorption of metal ions increased with increasing temperature. The Langmuir adsorption isotherm model best fitted the adsorption of Cr(VI) with both adsorbent and Ni(II) by CMS-500. While the Freundlich adsorption isotherm models were best suited for the adsorption of Ni(II) by BCMS-500, To understand the adsorbent properties, the adsorbent was characterized using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) combined with energy dispersive spectroscopy (EDS), and an X-ray diffractometer (XRD). CMS-500 and BCMS-500 were found to be highly effective adsorbents that can be applied for the effective management of Cr(VI) and Ni(II)-contaminated wastewater.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740188","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
Kinetics of heterogeneous ammonia sulfite oxidation in wet desulfurization with cobalt sulfate catalyst 硫酸钴催化剂在湿法脱硫中的异相亚硫酸氨氧化动力学
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-18 DOI: 10.1007/s11144-024-02686-y
Jian Peng, Wen Yao, Peichao Lian
{"title":"Kinetics of heterogeneous ammonia sulfite oxidation in wet desulfurization with cobalt sulfate catalyst","authors":"Jian Peng, Wen Yao, Peichao Lian","doi":"10.1007/s11144-024-02686-y","DOIUrl":"https://doi.org/10.1007/s11144-024-02686-y","url":null,"abstract":"<p>In this work, the reaction kinetics between oxygen and ammonium sulfite obtained from the wet desulfurization process was investigated in a bubble reactor with cobalt sulfate as a catalyst under the condition of sulfite concentration of 0.38–1.18 mol/L, temperature of 15–40 °C, and cobalt concentration of 0.6 × 10<sup>−3</sup>–1.5 × 10<sup>−3</sup> mol/L. The reaction order with respect to sulfite is zero and oxygen is 1.5, and cobalt is 0.5. The apparent energy of activation is 20.45 kJ/mol. The mechanism of sulfite oxidation was discussed. The experimental results are valuable for the process optimization of ammonium sulfite oxidation and industrial design in the wet ammonia desulfurization system.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740189","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
Dielectric study of shellac composites through varying filler concentrations 通过改变填料浓度对虫胶复合材料进行介电研究
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-17 DOI: 10.1007/s11144-024-02687-x
Monika Chaparia, Neelam Kumari, Amit Chaurasia, Ravi Kant Choubey, Pushpendra Kumar, Umesh Kumar Dwivedi
{"title":"Dielectric study of shellac composites through varying filler concentrations","authors":"Monika Chaparia, Neelam Kumari, Amit Chaurasia, Ravi Kant Choubey, Pushpendra Kumar, Umesh Kumar Dwivedi","doi":"10.1007/s11144-024-02687-x","DOIUrl":"https://doi.org/10.1007/s11144-024-02687-x","url":null,"abstract":"<p>This work presents a comprehensive study on the dielectric properties of shellac-based composites with varying filler concentrations of (SiC) and iron (Fe) particles, complemented by scanning electron microscopy (SEM) analysis. Shellac, a natural biopolymer known for its excellent film-forming abilities, biodegradability, and insulating properties, was chosen as the matrix material. The dielectric properties, including permittivity and dielectric loss, are measured by LCR Meter across a frequency range from 100 Hz to 8 MHz to evaluate the effects of filler concentration. This study reveals that the incorporation of SiC and Fe particles significantly enhances the dielectric constant and exhibits complex frequency-dependent behavior in dielectric loss. SEM analysis provided insights into the microstructural changes induced by the fillers, correlating with the observed dielectric properties. The results indicate that the dielectric performance of shellac composites can be effectively tailored through the precise control of SiC and Fe particle concentrations, attributed to interfacial polarization and Maxwell-Wagner-sillars effects. This work underscores the potential of shellac composites as sustainable, high performance dielectric materials for advanced electronic applications, contributing to the development of eco-friendly electronic devices.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141722216","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 on the thermal behavior, kinetics, thermodynamics and chemical reactions of double-base propellant under multiple heating rates 多加热速率下双基推进剂的热行为、动力学、热力学和化学反应研究
IF 1.8 4区 化学
Reaction Kinetics, Mechanisms and Catalysis Pub Date : 2024-07-17 DOI: 10.1007/s11144-024-02692-0
Yitao Liu, Yueqiang Wu, Jun Wang, Chuanxiang Guo, Huiming Sun, Ruiyu Chen, Renming Pan
{"title":"Study on the thermal behavior, kinetics, thermodynamics and chemical reactions of double-base propellant under multiple heating rates","authors":"Yitao Liu, Yueqiang Wu, Jun Wang, Chuanxiang Guo, Huiming Sun, Ruiyu Chen, Renming Pan","doi":"10.1007/s11144-024-02692-0","DOIUrl":"https://doi.org/10.1007/s11144-024-02692-0","url":null,"abstract":"<p>The present study investigates the thermal behavior, devolatilization index, heat variations, kinetic and thermodynamic characteristic parameters, volatile components and possible chemical reactions of double-base propellant pyrolysis. Thermogravimetric analysis (TGA), in-situ Fourier transform infrared spectroscopy (FTIR) and online TGA-FTIR mass spectrometry are employed. The findings indicate that alterations in temperature and heating rate significantly affect the pyrolysis process, exhibiting a triphasic behavior, where the initial stage may be considered as a single-step reaction, primarily involving the pyrolysis of nitroglycerin. The pyrolysis of nitrocellulose predominantly occurs in the third stage. With the increase of heating rate, the reaction rate of the first stage decreases, whereas that of the second stage increases, resulting in a temperature hysteresis phenomenon. The maximum instantaneous heat flow and the total heat flow both increases, while the full width at half maximum decreases, thereby enhancing the combustion performance and reaction intensity of double-base propellant, while reducing the thermal stability. 450–550 K is the main exothermic temperature range. The average activation energies for the first and second stages of double-base propellant pyrolysis, determined using three effective kinetic methods, are 107.14 kJ/mol and 379.14 kJ/mol. The model <i>g</i>(<i>α</i>) = (1− (1− <i>α</i>)<sup>(1/3)</sup>)<sup>2</sup> can accurately characterize the first pyrolysis stage from a kinetic perspective. The average values of ∆<i>H</i>, ∆<i>G</i> and ∆<i>S</i> are 231.83 kJ mol<sup>−1</sup>, 231.83 kJ mol<sup>−1</sup> and − 35.06 J K<sup>−1</sup>. The pyrolysis of double-base propellant is an unstable and non-spontaneous endothermic reaction with decreasing stability as the reaction progresses. The major components of volatiles produced and the potential chemical reactions involved are identified.</p>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141719110","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
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