TALANTA
·
2023
·
IF 6.1
Chuan Lin,Renzhi Hu,Pinhua Xie,Guoxian Zhang,Xiaoyan Liu,Jinzhao Tong,Wenqing Liu
A newly constructed thermal dissociation cavity ring-down spectrometer (TD-CRDS) for the simultaneous measurement of ambient total peroxy nitrates (ΣPNs, RO 2 NO 2 ), total alkyl nitrates (ΣANs, RONO 2 ), and NO 2 was presented in this work. ΣPNs and ΣANs were detected as NO 2 with the CRDS instrument after thermal dissociation. PNs and ANs completely dissociated at 180 °C and 360 °C, with conversion efficiencies of 96 % and 99 %, respectively. The effects of NO 2 and NO on measurement in different temperatures and two types of thermal dissociation inlet (TDI) were further explored. The influence of ambient NO 2 and NO on PNs and ANs in the improved TDI (TDI-2) was significantly improved. To further enhance the measurement accuracy, the consistency of the observed NO 2 in the three channels was tested, which achieved good agreement. The detection limits of the TD-CRDS instrument for NO 2 , ΣPNs, and ΣANs were determined as 6.5, 6.8, and 8.6 pptv (10 s, 1σ), respectively. Observations of PNs and ANs were conducted in a suburban site in Hefei, China, from September 2–30, 2021, using the TD-CRDS instrument, and the consecutive time series of PNs and ANs were derived, verifying the capability of the TD-CRDS instrument for continuous field observations of ΣPNs and ΣANs.
研究领域:
环境科学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
FirePhysChem
·
2021
·
IF 0
Qi Xue,Fuqiang Bi,Junlin Zhang,Jiarong Zhang,Bozhou Wang,Minjie Wu
Two novel energetic compounds, 3-nitroxymethyl-5-(4-nitro-furazan-3-yl)-1,2,4-oxadiazole ( 4 ) and 3-nitroxymethyl-5-(4-azido-furazan-3-yl)-1,2,4-oxadiazole ( 5 ), were synthesized. Both of them were fully characterized, and the structure of 4 was further confirmed by X-ray single crystal diffraction. The thermal behaviors, detonation performances and the sensitivities of 4 and 5 were also investigated by differential scanning calorimetry (DSC), EXPLO5 program and BAM standard techniques. In addition, the electrostatic potential energy surface (ESP) was studied by Multiwfn program and density functional theory at B3LPY/6-31G (d, p). Both compounds have low melt-point, good energetic performance and mechanical sensitivity, which endow them with promising properties as plasticizing ingredients in propellant formulations.
研究领域:
有机化学
·
含能材料
·
晶体结构
·
热分析
✓ 已验证
DOI
ATMOSPHERIC ENVIRONMENT
·
2023
·
IF 5
Xiang He,Aiyilaiti Kudesi,Shuangxi Wang,Xin Liu,Lin Hu
Heterogeneous reactions of toluene/NO 2 with and without O 3 on α-Fe 2 O 3 particles was studied as a function of temperature by using in situ diffuse reflectance infrared Fourier transform spectrometry (DRIFTS). The results show that the formation of R-ONO 2 group is identified on the α-Fe 2 O 3 particles surface, indicating the formation of benzyl nitrate in the presence of toluene/NO 2 with or without O 3 at different temperatures from 253 K to 298 K. From the analysis of the spectral changes, the reaction kinetics, such as reaction rate and uptake coefficient are sensitive to temperature. During the heterogeneous reaction of toluene/NO 2 , the formation rate of organic nitrate increases from (2.38 ± 0.07) × 10 17 ions g −1 s −1 to (5.95 ± 0.09) × 10 17 ions g −1 s −1 when the temperature decreases from 278 K to 253 K. When the trace gases were toluene/NO 2 /O 3 , the reaction rate increases about 3 folds with the increasing of temperature from 253 K to 298 K. In the absence of ozone, nitrification from heterogeneous reaction is exothermic process. However, the addition of ozone dominates the whole reaction process, resulting the different change trends of formation rate at similar range of temperatures. Furthermore, reactive uptake coefficient increases from (6.73 ± 0.02) × 10 −7 to (1.64 ± 0.05) × 10 −6 with decreasing temperature from 278 K to 253 K during the heterogeneous reaction of toluene/NO 2 on α-Fe 2 O 3 particles. The values of activation energy for the heterogeneous reaction of toluene/NO 2 and toluene/NO 2 /O 3 are determined to be −8.60 ± 0.91 kJ mol −1 and 15.14 ± 2.51 kJ mol −1 , respectively. It implies that the heat change is an important factor in affecting the heterogeneous reaction under the seasonal temperature changes.
研究领域:
大气化学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
BIORESOURCE TECHNOLOGY
·
2024
·
IF 9.7
Juan Huang,Alei Zhang,Qi Yang,Yajun Ding,Zhongliang Xiao
The explosive and biorefractory nature of nitrocellulose (NC) poses major risks to both humans and the environment. Expanding the range of microorganisms capable of degrading NC is essential, though the most effective known microorganisms, Desulfovibrio genera and Fusarium solani , achieve degradation rates of 5%-25%. Here, a novel strain, Rhodococcus pyridinivorans LZ1 was isolated, demonstrating the ability to degrade NC, with its growth potentially enhanced by the presence of NC. The degradation process was monitored by assessing changes in nitrate, nitrite, and ammonium. Notably, the –OH strength of NC increased over time, whereas the energetic functional groups (–NO 2 and O-NO 2 ) diminished. Furthermore, the presence of NC enhanced nitrate esterase activity 1–2-fold, indicating that ammonification was the primary pathway for NC biodegradation. By converting the nitrate ester of NC into hydroxyl, R. pyridinivorans LZ1 mitigates the harmful effects of NC, offering a promising approach for the treatment of NC waste and wastewater.
研究领域:
微生物学
·
环境科学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Mengyao Qi,Zhenkai Luo,Weijun Peng,Wei Wang,Yijun Cao,Longyu Zhang,Yukun Huang
The separation of talc and molybdenite is a challenging and research hotspot in mineral processing. In the work, a nitrous acid ester depressant (M−DEP) was first synthesized and used as a molybdenite depressant for the separation of talc and molybdenite via reverse flotation. Flotation tests of single-mineral and multi-mineral samples were carried out to evaluate the effect of M−DEP on the flotation behavior of molybdenite and talc. Zeta potential, X-ray photoelectron spectroscopy, and Fourier Transform Infrared Spectroscopy were used to analyze the selective depression mechanism of M−DEP on molybdenite and talc. Furthermore, the adsorption behavior of M−DEP on specific crystallographic planes of minerals has been studied by contact angle, atomic force microscope, and DFT calculation. Flotation experiment results indicated that M−DEP had excellent selective depression on molybdenite in the pH range of 5 to 10. The results of mechanism analysis showed that M−DEP could be adsorbed on molybdenite “basal” surface by hydrophobic interaction, and on molybdenite “edge” surface by chemical interaction, while could not be adsorbed on the surface of talc due to electrostatic repulsion. M−DEP enlarged the surface floatability difference between talc and molybdenite and promoted the efficient separation of talc and molybdenite via reverse flotation.
研究领域:
矿物加工工程
·
材料化学
✓ 已验证
产品关联
DOI
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2023
·
IF 11.4
Ting Xue,Lvcun Chen,Kanglu Li,Ben Lei,Hong Wang,Fan Dong,Yan Yang
The coexistence of NO and CH3CHO in the air is considered to produce secondary peroxyacetyl nitrate (PAN) under sunlight irradiation, threatening the ecological environment and public health. Herein, we provide a simple strategy for the photocatalytic removal of NO and acetaldehyde (CH3CHO) on Sr2Sb2O7. In comparison with the single removal, the nearly complete removal of NO is reached by deep oxidation to NO3– with the assistance of CH3CHO. The underlying mechanism is revealed by GC–MS, in situ DRIFTS, and density functional theory calculations. The intermediates •CH3 from CH3CHO and NO2– from NO tend to bond and further oxidize to CH3ONO2, thus promoting NO removal. CH3NO2 and CH3ONO2 are the key products instead of PAN on Sr2Sb2O7 from the synergistic degradation of NO and CH3CHO. This work brings new insights into reaction pathway regulation for promoting performance and suppressing byproducts during synergistic air pollutant removal.
研究领域:
环境科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2015
·
IF 2.587
Wenlin Gong,Bo Jin,Rufang Peng,Nengmei Deng,Rongzong Zheng,Shijin Chu
A new energetic fullerene derivative [60]fullerene-poly(glycidyl nitrate) (C60-PGN) was synthesized through a modified Bingel reaction of C60 and bromomalonic acid PGN ester in the presence of amino acid and dimethyl sulfoxide. The obtained product was characterized by nuclear magnetic resonance, Fourier transform infrared spectroscopy, and ultraviolet–visible spectroscopy. Results confirmed that C60-PGN was synthesized successfully. The thermal decomposition analysis of C60-PGN was investigated by differential scanning calorimetry and thermogravimetric analysis with infrared spectroscopy, which revealed that C60-PGN exhibits good resistance to thermal decomposition up to 200 °C. The kinetic parameters of the thermal decomposition of C60-PGN were also obtained from the differential thermal analysis data by Kissinger and Ozawa–Doyle methods, with Ea = 170.85 and 168.29 kJ·mol–1, respectively. C60-PGN exhibits stability higher than that of any other known polynitrofullerenes.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2023
·
IF 7.4
Siqi Wu,Rong Guo,Jianshan Chen,Runping Ye,Yeyan Qin,Hanying Wu,Shanshan Zong,Yang Liu,Yuangen Yao
Lack of high performance and stability catalysts remains a technical bottleneck for the industrialization of methyl nitrite (MN) carbonylation to dimethyl carbonate (DMC). Lewis acidity is crucial for catalytic performance in MN carbonylation reaction, but the regulation of Lewis acid sites and the effects of Lewis acid strength on catalytic performance have not been clarified. Thus, rational design of NaY zeolites with controllable acidity is an effective strategy to promote their catalytic performance. Herein, we substituted Ga for partial framework Al to produce a series of NaGaY-x (x = 0 ∼ 2) zeolites with different Ga content via direct hydrothermal method and applied in this reaction. The results showed that the Lewis acid strength increased upon an appropriate amount of Ga incorporation, thereby the electron density of Pd 2+ could be regulated. The optimal electron density of Pd 2+ promotes the carbon monoxide (CO) adsorption and activation, which contribute to the formation of the critical intermediate species *COOCH 3 . Eventually, the Ga-modified PdCu/NaY catalyst exhibited remarkable catalytic activity for MN carbonylation to DMC with the weight-time yields (WTY DMC ) of 1251 g·kg cat −1 ·h −1 , and the CO conversion to DMC (C CO ) of 69.2 % as well as the DMC selectivity based on CO (S DMC/CO ) up to 100 %. Our work paves the way to further understand the synergistic effect between Pd 2+ and Lewis acid, assists in the development of high-performance MN carbonylation catalysts.
研究领域:
催化化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF FORENSIC SCIENCES
·
2020
·Vol. 65
·期 3
·1016-1022
·
IF 1.441
Sizhe Huang,Rongshuai Wang,Bingbing Guo,Hongbin Ruan,Jinghong Ma,Liang Ren,Liang Liu
Methyl nitrite is suggested to cause methemoglobinemia by generating methemoglobin, which may be lethal when the methemoglobin concentration exceeds 70%. However, intoxication with methyl nitrite is seldom reported compared with that with other nitrites. Here, we present an industrial accident involving methyl nitrite inhalation during its synthesis process that resulted in three fatalities and one survivor. The autopsy revealed conspicuous blue-gray discoloration in various parts of the body, including the skin, airway mucosa, vessels, brain, heart, and among other areas. The toxicological tests on the deceased showed methemoglobin concentrations in the blood over the lethal level and increased nitrite ion levels in the blood, gastric contents, liver, and lung tissue compared with those in control samples. The cause of death was determined to be methemoglobinemia-induced hypoxia due to methyl nitrite inhalation. This report provides evidence that in methyl nitrite intoxication, exposure duration has a significant influence on the postmortem changes and likelihood of a fatal outcome may be related to the age of the victim. More attention is required regarding the industrial hazards of this substance.
研究领域:
法医学
·
毒理学
·
职业健康
✓ 已验证
DOI
PubMed
高影响因子
HELVETICA CHIMICA ACTA
·
2025
·
IF 1.8
Sendaner Adelieti,Si-Qi Wu,Xian-Hao Wu,Rong Guo,Jian-Shan Chen,Zhi-Fang Diao,Zi-Yi Miao,Zhen-Hong Han,Ye-Yan Qin,Yuan-Gen Yao
The carbonylation of methyl nitrite (MN) to synthesize dimethyl carbonate (DMC) is a promising route, but the lack of efficient and stable catalysts remains a major challenge for large-scale applications. In this study, by adjusting the alkalinity of the initial gel, NaY zeolites with tunable acidity were synthesized, and the amount of Lewis acid sites was optimized. Appropriate amounts of Lewis acid sites facilitated the interaction between NaY zeolites and Pd species, which was beneficial for stabilizing the oxidation state of Pd and promoting CO adsorption and activation, thereby contributing to the formation of the key intermediate *COOCH3. The catalyst PdCu/NaY-1 (alkalinity in the initial gel Na2O = 9) exhibited significant improvement in catalytic performance for the synthesis of DMC, with the WTYDMC of 1604 g·kgcat-1·h-1, the conversion of CO to DMC (CCO) of 88.7%, and the DMC selectivity based on CO (SDMC/CO) up to 100%.
研究领域:
催化化学
·
材料科学
·
绿色化学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2022
·Vol. 12
·期 13
·7712-7719
·
IF 4.036
Qi Xue,Fuqiang Bi,Yifen Luo,Jiarong Zhang,Kaidi Yang,Bozhou Wang,Ganglin Xue
Two energetic bicyclic scaffolds (furazan–isoxazole and furazan–1,3,4-oxadiazole) were constructed via different cyclization reactions. Based on the energetic bicyclic scaffolds, the energetic compounds, 3-(4-nitraminofurazan-3-ly)-isoxazole-5-methylnitrate 1c and 5-(4-nitraminofurazan-3-ly)-1,3,4-oxadiazole-2-methylnitrate 2c, were designed and synthesized in good yields. Because of the acidity of nitramine, the corresponding energetic ionic salts, ammonium 3-(4-nitraminofurazan-3-ly)isoxazole-5-methylnitrate 1d and ammonium 5-(4-nitraminofurazan-3-ly)-1,3,4-oxadiazole-2-methylnitrate 2e, were also obtained and well characterized, their structures were further determined by X-ray single crystal diffraction. To have a better understanding of the structure–property relationships of furazan-bicyclic scaffolds and nitrate groups, their thermal behaviors, detonation performances and the sensitivities were investigated via differential scanning calorimetry (DSC), ESP analysis, Hirshfeld surfaces calculation, EXPLO5 program and BAM standard techniques. Compared with those of ammonium 5-(4-nitraminofurazan-3-ly)-1,2,4-oxadiazole-2-methylnitrate 3e, the results show that all these methyl nitrate energetic compounds based on bicyclic scaffolds of furazan–isofurazan exhibit good detonation performances and extraordinary insensitivities. As supported by experimental and theoretical data, the formation of energetic ionic salts causes an increase of the weak interactions, significantly improving the thermal performance over 110 °C.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
PubMed
高影响因子
FUEL
·
2020
·
IF 5.578
Xiaochen Wang,Ying Wang,Yuanqi Bai
Experiments were performed on a high pressure common-rail diesel engine fueled with D100 (diesel fuel), DP15 (15% n-pentanol and 85% diesel, v/v), DP30 (30% n-pentanol and 70% diesel, v/v), DP30E1 (DP30 and 1000 ppm EHN) and DP30E2 (DP30 and 2000 ppm EHN), respectively. Particulates were sampled from the engine exhaust tailpipe and further analyzed with transmission electron microscope (TEM), Raman spectroscopy (RS) and thermogravimetric analysis (TGA). Results showed that an increase in soot oxidation reactivity was observed with increasing n-pentanol concentration in diesel/n-pentanol mixtures. This trend was in line with the poorer structural ordering of soot particles generated from blended fuels by both TEM and RS analyses. Regarding the impact of EHN addition to DP30 fuel, the soot oxidation reactivity decreased as the fuel was changed from DP30 to DP30E1, and then increased as the fuel was changed from DP30E1 to DP30E2. Notably, the soot from DP30 + EHN additive was easier to be oxidized than that from DP30. Similarly, the trends in soot oxidation reactivity with EHN additive can qualitatively capture the variations in soot nanostructure . The correlation between soot reactivity and nanostructure in this study was nonlinear, which infers that soot oxidation reactivity would be also influenced by other features like active surface area and surface functional group. It can be suggested that the application of DP30 would significantly affect the regeneration performance of diesel particulate filter (DPF); when the baseline fuel is DP30, the impacts of EHN additives on regeneration performance of DPF are relatively slight.
研究领域:
环境科学
·
能源工程
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）