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FUEL PROCESSING TECHNOLOGY · 2019 · IF 4.507

Oxidation and absorption of SO2 and NOx by MgO/Na2S2O8 solution at the presence of Cl−

Haotian Li,Feng Liu,Shuhui Wang,Fengjia Wang,Xin Qian,Caiduan Zhang,Yongliang Ma,Lidong Wang

Based on advanced oxidation technology, a new method for the simultaneous removal of SO 2 and NO x from industrial flue gas using Na 2 S 2 O 8 /MgO was proposed. The method does not require the body structure of the wet desulfurization device is changed but adds Na 2 S 2 O 8 to the original equipment to realize simultaneous desulfurization and denitrification. After determining Cl − was additive, the effects of various reaction factors on the simultaneous removal of SO 2 and NO x were investigated, including the Cl − concentration, the initial concentration of the oxidant, the initial pH value of the solution, and the reaction temperature. According to the characterization of removal products and the types of free radicals involved in the reaction by XRD , XPS , and EPR , the reaction mechanism was elucidated. The experimental results indicated that the removal products were mainly sulfates and nitrates. The free radicals involved in the reaction were SO 4 ·− , ·OH, and Cl·, and the key free radical was Cl·.

CAS / MDL: 3317-61-1 1309-48-4
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RSC Advances · 2019 ·Vol. 9 ·期 25 ·14400-14406 · IF 3.049

[HDMF]Cl-based DES as highly efficient extractants and catalysts for oxidative desulfurization of model oil

Rong-xiang Zhao,Xiu-ping Li,Chun-feng Mao,Liangpei Hou,Xiaohan Gao

N,N-Dimethylformamide hydrochloric acid/XMCln ([HDMF]Cl/XMCln, M = Zn or Fe, n = 2 or 3) was synthesized by stirring the mixture of [HDMF]Cl and metal chloride. [HDMF]Cl-based DES was characterized by FT-IR spectroscopy, ESI-MS and 1H-NMR spectroscopy. The oxidative desulfurization activity was investigated using [HDMF]Cl/0.2FeCl3 and [HDMF]Cl/ZnCl2 as the extractant and catalyst, and hydrogen peroxide (H2O2) as the oxidant. The desulfurization rate can reach up to 98.08% and 99.2% for DBT using [HDMF]Cl/0.2FeCl3 and [HDMF]Cl/ZnCl2, respectively. After recycling for 7 times, the removal rate of DBT still can reach more than 97%.

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Heliyon · 2023 ·Vol. 10 ·期 1 ·e23371 · IF 4

Amino acid promoted oxidation of atrazine by Fe3O4/persulfate.

Mingming Zheng,Yinghao Li,Menghua Cao,Yuxin Guo,Guohong Qiu,Shuxin Tu,Shuanglian Xiong,Dun Fang

In the present study, we demonstrated that the presence of cysteine could remarkably enhance the degradation of atrazine by Fe 3 O 4 /persulfate system. The results of electron paramagnetic resonance (EPR) spectra confirmed the combination of cysteine and Fe 3 O 4 exhibited much higher activity on activation of persulfate to generate more SO 4 •- and •OH than Fe 3 O 4 alone. At pH of 3.0, SO 4 •- and •OH contributed to about 58.2 % and 41.8 % of atrazine removal respectively, while •OH gradually dominated the oxidation of atrazine from neutral condition to alkaline condition. The co-existing Cl - and HCO 3 - could quench SO 4 •- , resulting in the inhibition of atrazine degradation. The presence of low natural organic matters (NOM) concentration (0-2 mg L -1 ) could enhance the atrazine removal, and high concentration (>5 mg L -1 ) of NOM restrained the atrazine degradation. During the Cysteine/Fe 3 O 4 /Persulfate process, cysteine served as a complexing reagent and reductant. Through acidolysis and complexation, Fe 3 O 4 could release dissolved and surface bound Fe 2+ , both of which contributed to the activation of persulfate together. Meanwhile, cysteine was not rapidly consumed due to a regeneration process, which was beneficial for maintaining Fe 2+ /Fe 3+ cycle and constantly accelerating the activation of persulfate for atrazine degradation. The reused Fe 3 O 4 and cysteine in the Cysteine/Fe 3 O 4 /Persulfate process exhibited high stability for the atrazine degradation after three cycles. The degradation pathway of atrazine included alkylic-oxidation, dealkylation, dechlorination-hydroxylation processes. The present study indicates the novel Cysteine/Fe 3 O 4 /Persulfate process might be a high potential for treatment of organic polluted water.

研究领域: 环境科学 · 化学工程 · 水处理 · 污染物降解
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Determination and Correlation of Solubility of 2,4,6,8,10,12-Hexacyclopropyl-2,4,6,8,10,12-hexaazaisowurtzitane in 12 Pure Solvents at Temperatures Ranging from 278.15K to 318.15K

Jianhui Du,Yunlu Li,Guoliang Jin,Jianlong Wang,Lizhen Chen

2,4,6,8,10,12-Hexacyclopropyl-2,4,6,8,10,12-hexaazaisowurtzitane (HCPIW) is a novel nitration precursor used in the synthesis of CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane). Investigating the solubility of HCPIW is of significant importance for optimizing its synthesis and crystallization processes, as well as for advancing the development of the CL-20 synthetic route. However, to the best of our knowledge, no studies have been reported on the solubility of HCPIW. To support downstream processing, its solubility in 12 pure solvents (dichloromethane, chloroform, carbon tetrachloride, 1,1,2-trichloroethane, 1,2-dichloroethane, n-hexane, cyclohexane, ethyl acetate, acetone, methanol, ethanol, and acetonitrile) was determined by the gravimetric method over the temperature range of 278.15 to 318.15 K. The experimental solubility data were correlated using the Apelblat equation, Yaws model, van’t Hoff equation, and a polynomial empirical model. All four models exhibited excellent agreement with the experimental data, with correlation coefficients (R2) exceeding 0.99 and root-mean-square deviations (RMSD) approaching zero. These models are thus suitable for accurately describing the solubility behavior of HCPIW. This study provides essential thermodynamic data to support further research and process development involving HCPIW.

CAS / MDL: 61-90-5
研究领域: 化学工程 · 热力学 · 材料科学 · 有机合成 · 工艺优化
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Defence Technology · 2025 · IF 5.9

Enhanced hydrophobicity and photosensitivity of DATNBI/alginate films via ionic cross-linking for near-infrared laser ignition

Ping Ye,Weimiao Wang,Xiaodong Li,Zhiqiang Qiao,Changping Guo,Jinjin He,Xu Zhou,Rui Li,Guangcheng Yang,Guoqing Lv

Based on the characteristics of laser-induced surface ignition, energetic photosensitive films show promising potential to meet the ignition requirements of various energetic materials (EMs). In this study, DATNBI/ferric alginate (DI/FeA), DI/cobalt alginate (DI/CoA), and DI/nickel alginate (DI/NiA) films are fabricated by employing sodium alginate (SA) with a three-dimensional network structure as the film matrix, via ionic cross-linking of SA with Fe 3+ , Co 2+ , and Ni 2+ ions. The study demonstrates that the ionic cross-linking enhances the hydrophobic performance of the films, with the water contact angle increasing from 82.1° to 123.5°. Concurrently, the films’ near-infrared (NIR) light absorption improved. Furthermore, transition metal ions facilitate accelerated electron transfer, thereby catalyzing the thermal decomposition of DATNBI. Under 1064 nm laser irradiation, the DI/FeA film exhibits exceptional combustion performance, with an ignition delay time as low as 76 ms. It successfully acts as an NIR laser ignition medium to initiate the self-sustained combustion of CL-20. This study demonstrates the synergistic realization of enhanced hydrophobicity, improved photosensitivity, and promoted catalytic decomposition through microstructural design of the material, providing new insights for the design of additive-free EMs in laser ignition applications.

研究领域: 材料科学 · 化学工程 · 光学 · 物理化学 · 激光技术
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Methods and Applications in Fluorescence · 2018 ·Vol. 6 ·期 2 ·025006 · IF 2.165

Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra

Jiajia Shan,Xue Wang,Hao Zhou,Shuqing Han,Dimas Firmanda Al Riza,Naoshi Kondo

Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models' performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

CAS / MDL: 149-91-7
研究领域: 分析化学 · 食品科学 · 化学计量学
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Defence Technology · 2025 · IF 5.9

Interfacial stability effect of PDA@PVDF dual-coating on CL-20: Synergistically suppressed polymorphic transition and solubility

Hao Wang,Chenming Li,Enjie Zhang,Yapeng Ou,Xiaoxia Ma

Hexanitrohexaazaisowurtzitane (CL-20) is a high-energy explosive widely used in composite explosives and propellants, but its application is severely limited by thermally induced ε-to-γ polymorphic transition and high solubility in nitrate ester solvents. The transition reduces energy density and increasing sensitivity, and the solubility causes dissolution-recrystallization defects (e.g., voids, compositional inhomogeneities) during long-term storage. To address these issues while preserving its high energetic performance, this study developed a polydopamine@polyvinylidene fluoride (PDA@PVDF) dual-coating strategy, fabricating CL-20 composite particles with a core-shell structure. In-situ X-ray diffraction (XRD) results confirmed that the ε-to-γ phase transition temperature of CL-20 increased from 110 °C (pristine CL-20) to 140 °C. Meanwhile, the CL-20@PDA@9%PVDF sample exhibited the lowest solubility and the best solvent resistance, and the solubility of CL-20 in nitrate ester solvents was drastically reduced from 0.229 g/100 g to 0.026 g/100 g, an 88.6% decrease, effectively enhancing its structural and solvent resistance stability. For energetic performance, when mixed with aluminum powder at a 7:3 mass ratio, the CL-20@PDA@9%PVDF/Al composite achieved a combustion heat of 8275 J/g, 8.7% higher than that of the unmodified Al/CL-20 system (7611 J/g). Combustion pressure tests showed that although the modified system exhibited slightly lower initial peak pressure and pressure rise rate due to dilute CL-20 content from inert coatings, it presented a unique "delayed enhancement" effect, with pressure gradually surpassing and ultimately exceeding that of the unmodified system in the middle and late combustion stages, enabling more sustained high-pressure output. This work realizes the synergistic optimization of CL-20’s polymorphic/solvent stability and energetic performance, providing a feasible and scalable approach for the practical application of CL-20 in advanced energetic systems.

CAS / MDL: 1185-53-1 62-31-7
研究领域: 含能材料 · 材料科学 · 应用化学 · 热稳定性工程
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ENVIRONMENTAL RESEARCH · 2022 · IF 8.431

Optimized titania nanotubes photoanode mediated photoelectrochemical oxidation of ammonia in highly chlorinated wastewater via Cl-based radicals

Sen Lu,Xuechuan Li,Yunkai Liao,Guan Zhang

Efficient removal of low-concentration ammonia from chlorinated wastewater is a challenge for decentralized wastewater treatment due to its notorious environmental effect and lethal influence on aquaculture. Photoelectrocatalytic (PEC) oxidation process is considered as an efficient and environment–friendly approach, whereas a low-cost and stable photoanode is crucial. In this study, TiO 2 nanotubes (TNTs) photoanode (Ar–TNT–500 °C) with excellent physicochemical and photoelectrochemical properties was prepared by optimizing the parameters of anodization, including the voltage/times of anodization and the atmosphere/temperature of heat treatment. During the synthesis, the electrochemical and heat treatment processes promoted the formation of oxygen vacancies (O V ) on the TNTs surface and enhanced its electrocatalytic activity. The optimized Ar–TNT–500 °C photoanode could selectively convert ammonia to N 2 (86%) and a small amount of nitrate (14%). Radical quenching and probe experiments confirmed that the ClO produced by rapid quenching of OH and Cl by free chlorine dominated the selective degradation of ammonia in the synergistic process of photocatalysis and electrocatalysis. The cycle of chlorine-based radicals (ClO and Cl ) and Cl − provided a continuous and efficient ammonia oxidation system, because chlorine-based radicals could efficiently and selectively oxidize ammonia and reduce the production of toxic (per) chlorate.

研究领域: 环境科学 · 材料科学 · 化学工程
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DALTON TRANSACTIONS · 2024 ·Vol. 53 ·期 4 ·1849-1861 · IF 3.5

Simultaneous Mn and Cl doping on Na3V2(PO4)3 with high performance for full sodium-ion batteries

Haodi Dong,Changcheng Liu,Que Huang,Yanjun Chen

Nowadays, the poor conductivity and unstable structure have become obstacles for the popularization of Na3V2(PO4)3 (NVP). In the current work, a dual-modified Mn0.1Cl0.3-NVP composite doped with Mn and Cl is prepared by a facile sol–gel method. When Mn2+ with a large ionic radius replaces small V3+, it can improve the stability of the NVP crystal structure. In addition, the replacement of V3+ by Mn2+ in a low valence state can generate redundant hole carriers, which is conducive to the rapid transport of electrons. The substitution of PO43− by Cl−, which is more electronegative, can reduce the impedance and facilitate the movement of Na+. Owing to the synergistic effect of Mn and Cl co-substitution, the structural stability of NVP was systematically enhanced, and the electron transfer and ion diffusion were effectively improved. Consequently, the optimized Mn0.1Cl0.3-NVP sample demonstrated superior electrochemical performance and kinetic properties. It exhibited a high reversible capacity of 109.2 mA h g−1 at 0.1C. Even at 15 and 30C, high discharge capacities of 70.3 mA h g−1 and 68.2 mA h g−1 were observed after 2000 cycles with capacity retention above 80%. Moreover, it delivered remarkable capacities of 77.1 and 73.4 mA h g−1 at 100 and 200C with retained capacity values of 50.3 and 47 mA h g−1, respectively, after 2000 cycles. Furthermore, the assembled Mn0.1Cl0.3-NVP//HC full cell delivered a high value of 94.7 mA h g−1 and lit LED bulbs, indicating its excellent application potential.

研究领域: 材料科学 · 电化学 · 能源存储 · 无机化学 · 固态化学
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Journal of Energy Storage · 2024 · IF 8.9

The higher the better? Thermal stability and electrochemical properties of Cl-rich lithium argyrodite solid state electrolyte

Yi Duan,Xiaopeng Qi,Xiangtao Bai,Tianwei Yu,Yanlong Wu,Zenghua Chang,Jiantao Wang

Argyrodite Li 6-x PS 5-x Cl 1+x with high ionic conductivity and excellent mechanical performance is an attractive solid electrolyte candidate for all-solid-state lithium batteries (ASSLBs). Adjusting Cl content is an effective strategy to enhance the ionic conductivity, however its effect on the thermal stability remain uncovered. Herein, our study shows that the increase of Cl content in Li 6-x PS 5-x Cl 1+x significantly enhances the ionic conductivity and electrochemical properties but significantly reduces its thermal stability. We reveal that the thermal stability of Li 6-x PS 5-x Cl 1+x is heavily dependent on its Cl content and can be significantly enhanced by elemental doping. LiNi 0.6 Co 0.2 Mn 0.2 O 2 based ASSLBs using Cl-rich argyrodite with pure phase shows better cycle performance. Achievements from this study could serve as a guidance for optimizing and applicating argyrodite solid electrolytes towards high-performance and safe ASSLBs.

研究领域: 材料科学 · 电化学 · 能源存储
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CRYSTAL GROWTH & DESIGN · 2026 · IF 3.6

Halogen-Substitution-Modulated Lone-Pair Orientation in Sb(H2PO2)2X (X = Cl, F) for Enhanced UV Birefringence

Ying Long,Xuehua Dong,Lin Qi,Lindong Luan,Zichen Ren,Zhien Lin,Guohong Zou

Balancing large birefringence with ultraviolet (UV) transparency remains a central challenge in the development of birefringent crystals. Herein, we report two Sb(III)-based hypophosphites, Sb(H2PO2)2Cl and Sb(H2PO2)2F, and comparatively investigate their crystal structures and optical properties. Single-crystal X-ray diffraction analysis shows that Sb(H2PO2)2Cl crystallizes in a wave-like two-dimensional (2D) layered structure, whereas Sb(H2PO2)2F adopts a 1D chain structure. Optical measurements reveal that Sb(H2PO2)2F exhibits a markedly enhanced birefringence of 0.205 at 546 nm, compared with 0.055 for Sb(H2PO2)2Cl, in good agreement with DFT-calculated values of 0.211 and 0.041, respectively. Meanwhile, Sb(H2PO2)2F retains a wide band gap of 4.81 eV and a short UV cutoff edge of 258 nm, indicating a favorable balance between optical anisotropy and UV transparency. Further structure–property analysis suggests that the enhanced birefringence of the fluoride is closely associated with the more favorable orientational efficiency of the stereochemically active lone pair on Sb3+. These results demonstrate that halogen substitution is an effective approach for tuning optical anisotropy in UV-transparent Sb(III)-based hypophosphites.

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Surfaces and Interfaces · 2026 · IF 6

Effect of Cl, S and P on the performance and poisoning resistance of CuO-ZrO2 based catalysts

Keer Tan,Jinping Zhao,Linfa Bao,Linjun Shao,Hanyun Liu,Yishuo Dong,Peng Yang

Catalytic combustion is a widely used technology for volatile organic compounds (VOCs) abatement, in which highly active catalysts play a key role. However, catalyst is prone to poisoning during the degradation of VOCs. In order to study anti-poisoning performance, the Cl, S and P heteroatoms were artificially introduced, and the corresponding doped CuO-ZrO 2 catalysts were prepared via a salicylic acid-assisted sol-gel method. The effects of heteroatom doping on the structure, acidity, redox properties and catalytic performance were systematically studied. The results showed that Cl, S and P doping effectively tuned the catalyst structure, active species dispersion and surface Lewis/Brønsted acid sites, which exerted a meaningful influence on catalytic performance of catalysts in the degradation of VOCs pollutants. In addition, compared with the undoped CuZrO, Cl-CuZrO exhibited the highest catalytic performance for degradation of toluene, chlorobenzene and p-chlorotoluene, indicating that the CuO-ZrO 2 catalyst system possessed excellent chlorine resistance. Meanwhile, S-CuZrO showed comparable performance to CuZrO, which demonstrated that the CuO-ZrO 2 catalysts had a certain degree of sulfur resistance. Through the design and optimization of heteroatom doping, this work provided valuable insights for enhancing the catalytic efficiency and structure stability of CuO-ZrO 2 based catalysts.

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