JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES
·
2024
·
IF 3.6
Chenyang Pu,Zhi Wang,Boren Zheng,Bin Zhang
1,2,4-Triazole is a common intermediate used in the synthesis of pesticides and medicine, and has a very wide range of applications. As a kind of polynitrogen heterocycles, 1,2,4-triazole will release a lot of heat during thermal decomposition. If there is no comprehensive understanding of its pyrolysis behavior, there will be a very large thermal safety risk in the process involving 1,2,4-triazole in industrial production. At the same time, the instability of the substance may be affected by the presence of impurities, and the existing research on this aspect is quite scarce. Therefore, it is very necessary to study the effect of adding other substances on the thermal decomposition of 1,2, 4-triazole. The thermal decomposition characteristics and thermal runaway behavior of 1,2, 4-triazoles were revealed by thermodynamic experiments and various kinetic theoretical methods. According to the risk matrix, the thermal runaway danger level of 1,2, 4-triazole was determined to be level Ⅲ, which was an unacceptable risk. The results show that 1,2, 4-triazole has a huge heat release and the effect of thermal runaway is serious. In this study, three substances involved in the industrial production of fluconazole and flutriafol mixed with 1,2, 4-triazole were selected to explore their influence on the thermal decomposition of 1,2, 4-triazole under non-working conditions. DSC and ARC experiments consistently showed that these three impurities could reduce the reaction heat release of 1,2, 4-triazole to varying degrees, and confirmed that these three impurities could reduce the risk of thermal runaway of 1,2, 4-triazole to varying degrees. Among them, sodium hydride has the most outstanding performance, both in terms of reducing reaction heat release and reducing adiabatic temperature rise. The results can provide reference for loss control of 1,2,4-triazole in industrial applications.
研究领域:
化学工程
·
热力学
·
安全科学
✓ 已验证
DOI
高影响因子
Defence Technology
·
2021
·
IF 3.172
Yu-lan Song,Qi Huang,Bo Jin,Ru-fang Peng
To improve the safety of HMX, HMX/NH 2 -GO composite was prepared with aqueous ammonia functionalized graphene oxide (NH 2 -GO). The composite was characterized by SEM, Zeta potential, XPS, Raman spectrum, XRD, HPLC, DSC and BAM sensitivity test. The results indicated that the functionalization with aqueous ammonia can enhance the interaction between GO and HMX, and more efficiently desensitize the explosive. The optimal impact sensitivity of the HMX/NH 2 -GO composite can be not less than 40 J, which is also the most insensitivity compared to the previous reports prepared by coating desensitization with non-energetic desensitized material. Moreover, the potential reason for the different impact and friction sensitivity was also discussed, which may bring a novel perspective to achieve the desensitization of energetic material.
研究领域:
材料科学
·
爆炸物安全
·
化学工程
✓ 已验证
DOI
高影响因子
Journal of Energy Storage
·
2024
·
IF 8.9
Mengna Shi,Tie Ma,Chenqi Wang,Changcheng Liu,Que Huang,Li Guo,Dan Li
The thermal stability of lithiated graphite plays an important role in the thermal safety of lithium-ion batteries (LIBs). However, a safer graphite anode usually leads to a lower energy density. This article starts from multiple hazardous factors of lithiated graphite when thermal runaway occurs, considering the impact of defects on the electrochemical performance and thermal safety of graphite electrodes. In this study, turbostratic graphite was prepared as the anode for LIBs. The stacking of graphite was altered to form narrow pores and spherical aggregates, and introducing defects. By varying the ball-milling time, the structural changes of different ball-milled graphites were analyzed. The impact mechanism of defect structure on electrode electrochemical performance and safety performance was investigated. The results show that the spherical structure and large specific surface area are beneficial to increase the active sites and delay the self-heating of the battery. The formation of defects and pores increases the adsorption sites, which makes the surface adsorption of Li + dominant and improves the ion diffusion. In addition, the dominance of surface adsorption and desorption effectively suppresses the problem of graphite flake peeling and intensified thermal runaway caused by graphite phase transition and lithium evolution heat release at high temperature. The thermal safety test was carried out by accelerated calorimeter (ARC), and its thermodynamics and reaction kinetics were quantitatively analyzed. It was proved that the introduction of surface adsorption lithium storage method successfully delayed the thermal runaway of the battery, realizing the balance between high electrochemical performance and high safety.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CRYSTAL GROWTH
·
2021
·
IF 1.797
Qi Pan,Honglei Zhang,Xueyong Guo,Wanjun Zhao,Xuekun Fan
In this study, the effects of dopamine, binder and plasticizer on the crystal transformation of β-HNIW were investigated. By a simple preparation method, dopamine, plasticizer and binder were coated on the surface of β-HNIW. The characterization results of SEM , DSC and XRD show that the four dopamine polymers, three binders and four plasticizers form a stable polymer film on the surface of β-HNIW crystal. The crystal transformation temperature of β-HNIW crystal coated with dopamine polymer is delayed to varying degrees, and the crystal transformation temperature is significantly improved about 40 °C. Dopamine polymers effectively inhibit the crystal transformation of β-HNIW, improving the thermal safety of β-HNIW. The three binders have inhibitory effect on the crystal transformation of β-HNIW, and four plasticizers promote the crystal transformation of β-HNIW. Dopamine and binder have an inhibitory effect on the β-HNIW crystal transformation, while the plasticizer has a promoting effect on the β-HNIW crystal transformation.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2019
·Vol. 143
·期 1
·609-618
·
IF 2.471
Cao Chengyang,Zhang Dan,Lu Song,Liu Changcheng
Guanidinium-5-aminotetrazole (GA) was synthesized by mixing 5-aminotetrazole (5-AT) and guanidine carbonate in heated deionized water. The composite propellants containing GA and differential oxidizers (Sr(NO 3 ) 2 , KNO 3 , NaNO 3 ) were prepared, and its structural characteristics, thermal decomposition behavior, kinetics, thermal safety and burning characteristics were investigated. The thermal analysis results showed that the decomposition of GA based propellants could be separated into five stages, consisting of one phase change reaction, one exothermic reaction and three endothermic reactions. The reaction mechanisms of each decomposition stage were also researched and considered it was following reaction order models. The thermal safety evaluations were conducted using the obtained related parameters of the exothermic reaction. Combined with the burning characteristics measurement results, GA coupled with Sr(NO 3 ) 2 represented a higher thermal safety and more stale combustion process than other two propellant samples, which is also act as a promising formulation to substitute 5-AT based propellant in fire-fighting area.
研究领域:
化学工程
·
材料科学
·
燃烧与爆炸学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2018
·
IF 3.141
Zichao Guo,Wei Feng,Shiran Li,Peng Zhou,Liping Chen,Wanghua Chen
To prevent thermal runaway incidents in semibatch reactors (SBRs), designing thermally safe operating conditions should be considered first. Regretfully, determination of the reaction kinetics for organic reactions is a time-consuming and money-consuming process, especially in the fine chemical and pharmaceutical industries. Therefore, it is desirable to develop kinetic-parameter-free methods that can design the right operating conditions. Along this line, a new facile approach to design thermally safe operating conditions for isoperibolic homogeneous SBRs has been developed in this article. This approach is developed on the basis of deep insights into the phenomenon that the MTSR vs reaction temperature profiles for isothermal exothermic reactions present an “S” shape. The approach has been experimentally validated using the hydrolysis reaction of acetic anhydride. However, more work should be carried out to extend this method to more complex reaction systems, like consecutive reactions.
研究领域:
化学工程
·
安全工程
✓ 已验证
产品关联
DOI
高影响因子
THERMOCHIMICA ACTA
·
2015
·
IF 2.184
Na Zang,Xin-Ming Qian,Zhen-Yi Liu,Chi-Min Shu
The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.
研究领域:
化学工程
·
安全工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF POWER SOURCES
·
2024
·
IF 8.1
Qiong Liu,Ziyi Wang,Linlin Xie,Zhenkui Chen,Xiaoxu Wu,Zhi Li
The separator is a crucial component of lithium-ion batteries, playing a vital role in ion transfer and preventing polarization of the battery . To solve the problem of poor thermal safety of separators in lithium-ion batteries, in this work, three types of hydrophobic silica aerogels are compared. A suitable separator is fabricated by adding hydrophobic silica aerogels with monomethylsilyl as a modifier to pure polyimide . The aerogel composite separator displays a highly cross-linked three-dimensional nanoporous network, a low thermal shrinkage rate (<4 % at 200 °C), and high thermal stability (peak temperature of 670 °C) and oxygen index (>45 %). In addition, owing to the introduced hydrophobic functional groups of Si –CH 3 , the prepared separator decreases the polarization of the lithium-ion batteries and leads to improved power performance and cycle stability (its discharge voltage difference is 0.42 V higher than that of Celgard 2325 at 5 C). This work provides a new method of improving the safety and simultaneously reducing the polarization of lithium-ion batteries, which has promising application potential in power batteries.
研究领域:
材料科学
·
能源技术
✓ 已验证
产品关联
DOI
高影响因子
QUIMICA NOVA
·
2025
·
IF 0.7
Li Xin Yi,Xing Zhi Xiang,Liu Ye Cheng,Cheng Yang,Huang An Chi
Nitroaromatic acids, ubiquitous intermediates in nitro compounds, find broad applications in pharmaceuticals and fine chemical industries, yet their safety often receives inadequate attention. This paper investigates the thermal decomposition process of three isomers of nitrobenzoic acid using differential scanning calorimetry (DSC) and thermogravimetric analysis (TG), complemented by calculations of the apparent activation energy using typical kinetic methods. The reaction type was verified using a nonlinear fitting method. Thermal safety parameters including the time to maximum rate (TMR), critical temperature of self-acceleration (TCL), and thermal risk index (TRI) were employed to elucidate the thermal hazards. The thermal decomposition mechanism was further explained using density functional theory (DFT) methods, focusing on the Mayer bond order. The findings revealed that the average apparent activation energies for p-nitrobenzoic acid (PNBA), m-nitrobenzoic acid (MNBA), and o-nitrobenzoic acid (ONBA) were 157.00, 203.43, and 131.31 kJ mol-1, respectively. A single n-order reaction characterized the thermal decomposition process. The TMR and TCL parameters indicated a decomposition tendency at high temperatures, with the thermal stability at elevated temperatures following the order: PNBA < ONBA < MNBA. The TRI parameter indicates the danger level of the nitrobenzoic acids. The thermal decomposition mechanism was elucidated using Mayer bond energies, offering valuable insights into storage and transportation, and contributing to developing predictive models for thermal characteristics.
研究领域:
化学工程
·
安全科学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
CELLULOSE
·
2024
·
IF 4.9
Cheng Xue-Ning,Xu Guo-Zhong,Liu Hao,Han Zhong-Xuan,Li Mi,Jiang Lin
Nitrocellulose (NC) finds widespread use in propellants and launchers. Nanoscale modification can effectively enhance its combustion performance by shortening the mass and heat transfer distance. However, it also presents greater safety challenges for storage and application. To further investigate the thermal safety characteristics of nanoscale NC, this study explores the impact of additives on nanoscale NC. Nanoscale NC was prepared via electrospinning, and the samples were characterized using focused ion beam scanning electron microscopy to examine the influence of precursor concentration and stabilizer on sample morphology, leading to the formulation determination. Samples incorporating triphenylamine and lithium carbonate (Li 2 CO 3 ) were fabricated using both electrospinning and traditional mechanical mixing techniques. Following preparation, fourier transform infrared spectroscopy, the methyl violet test, and thermogravimetry–differential scanning calorimetry were performed on six samples, each prepared using different methods and additives. These analyses aimed to investigate the thermal decomposition characteristics of the samples under varying heating rates. The study also compared the impact of nanoscale modification on the thermal performance of composite nitrocellulose. Various model-free methods were employed to calculate the relationship between activation energy and conversion rate and to analyze alterations in activation energy. Considering the thermal decomposition characteristic parameters, the study delved into the stabilizing effect of typical stabilizers in nanocomposite fibers. This research is instrumental in guiding preparation process optimization, promoting the application of NC-stabilizer mixtures, and providing valuable references for the preparation and thermal stability investigations of similar nanomaterials.
研究领域:
材料科学
·
热力学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
Energy Storage Materials
·
2023
·
IF 20.4
Borui Yang,Yu Pan,Ting Li,Anjun Hu,Kun Li,Bin Li,Liu Yang,Jianping Long
Lithium metal anodes coupled with nickel-rich cathodes promise high-energy-density batteries . Nonetheless, the overall safety of lithium metal batteries is compromised by the use of conventional thermally unstable and flammable carbonate-based electrolytes, which hinders their practical applications, especially under abuse conditions. Herein, a flame-retardant perfluorinated gel polymer electrolyte (PFGPE) is developed by in situ copolymerization of perfluorobutyl acrylate (PFBA) monomer with pentaerythritol tetraacrylate (PETEA) crosslinker. PFBA decomposes at high temperatures to generate fluorine radicals that eliminate hydrogen and hydroxyl radical chain combustion reactions in the gas phase, reducing the combustion risk of electrolytes. Additionally, the co-pyrolysis of the carbonate-based electrolytes and the copolymerization matrix produces a P- and F- containing char layer in the condensed phase, blocking the heat and oxygen required for combustion. A large-format PFGPE modified Li metal pouch cell (4.4 Ah, 381 Wh kg −1 ) achieves 120 cycles with 83.4% of capacity retention under a lean electrolyte of 3 g Ah −1 and a negative/positive capacity ratio of 1.82. Moreover, the modified pouch cell exhibits enhanced thermal safety characteristics and passes international standard tests (GB/T 31485–2015) for mechanical nail penetration and thermal abuse. This innovative approach represents a significant milestone towards the advancement of high-safety Li metal batteries.
研究领域:
材料科学
·
能源技术
✓ 已验证
DOI
高影响因子
Gels
·
2024
·Vol. 10
·期 12
·844
·
IF 5
Lei Xu,Guanhua Sun,Jiahui Chen,Xiaoxu Wu,Min Hu,Fang Zhou,Zhi Li
This research enhances the thermal safety of hydrophobic silica aerogel (HSA) by integrating layered double oxides (LDOs). XRD and FTIR confirm that the introduction of LDOs does not affect the formation of SA. The LDO/SA composites demonstrate a low density (0.14–0.16 g/cm 3 ), low thermal conductivity (23.28–28.72 mW/(m·K)), high porosity (93.4–96.1%), and a high surface area (899.2–1006.4 m 2 /g). The TG-DSC results reveal that LDO/SA shows enhanced thermal stability, with increases of 49 °C in the decomposition onset temperature and 47.4 °C in the peak decomposition temperature. The gross calorific value of LDO/SA-15% (with 15 wt% LDO) exhibits a 23.9% reduction in comparison to that of pure SA. The decrease in gross calorific value, along with improved thermal stability, indicates a boost in the thermal safety characteristics of the LDO/SA composites. This study demonstrates that incorporating LDOs enhances the thermal safety of HSA, while preserving its superior performance, thus broadening its potential applications in thermal insulation.
研究领域:
材料科学
·
热能工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）