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ELECTROCHIMICA ACTA · 2016 · IF 4.803

The electrochemical formation of Al-Cu alloys in a LiCl-KCl-AlCl3 molten salt

Wei Li,Zeng Chen,Chaochao Wei,Wenping Kong,Binghua Xu,Xiyang Jia,Chunli Diao,Shengjun Li

An electrochemical method was developed for the formation of Al-Cu alloys. The electrodeposition of aluminum on Mo and Cu substrates was studied using cyclic voltammetry in molten LiCl-KCl-AlCl 3 (2   wt.%). During the cathodic scan of the cyclic voltammograms, three different Al-Cu alloys were observed before pure Al formed on the Cu substrate. The electrochemical formation processes were studied using square wave voltammetry and open circuit chronopotentiometry. The products of the different reduction processes were identified using XRD. The XRD results indicated that three different Al-Cu intermetallic compounds, Al 4 Cu 9 , AlCu, and Al 2 Cu, were obtained using electrochemical deposition in the molten salt system.

研究领域: 材料科学 · 电化学
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JOURNAL OF MOLECULAR LIQUIDS · 2022 · IF 6.633

Isobaric vapour-liquid equilibrium for systems of methyl chloroacetate, methyl dichloroacetate and methyl 2-chloropropionate at 101.33 kPa

Wang Jun,Zhu Tianlong,Deng Ziwen,Liu Haicheng,Huang Chunxiang,Li Na,Sun Xueni,Shao Hui,Qi Lv

Isobaric vapour-liquid equilibrium (VLE) data for binary systems containing methyl chloroacetate (MC) + methyl 2-chloropropionate (M2C), MC + methyl dichloroacetate (MDC), and M2C + MDC at 101.33 kPa and the saturated vapour pressure data of these components were measured by using a modified Othmer still. The VLE data showed that these binary systems were all slightly positive deviation solutions compared with the ideal system. Herington area and point tests were used to confirm the thermodynamic consistency for these binary systems, and the results showed good thermodynamic consistency. The interaction energy ( E inter ) between these components was calculated by molecular simulation to explain the normal boiling point and VLE behavior. The simulation results showed weak hydrogen bonds between these chlorinated esters. In addition, the binary VLE experimental data were correlated by the Wilson, NRTL, and UNIQAC models. The correlated results agreed well with the experimental values.

研究领域: 化学工程 · 物理化学
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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2023 · IF 3.8

Phosphorus and nitrogen co-doped graphene for catalytic dehydrochlorination of 1,2-dichloroethane

Haonan Yu,Xiaofeng Yang,Hongbin Yang,Jinming Xu,Yanqiang Huang

A phosphorus and nitrogen co-doped graphene (PNG) was developed via a two-step pyrolysis approach through the intermedium of g-C 3 N 4 template and glyphosate as the phosphorus source, and was used for the catalytic dehydrochlorination of 1,2-dichloroethane (EDC) to vinyl chloride monomer (VCM) production. The characterization results indicate that a volcano relationship of surface area and surface properties with the usage of phosphorus precursor was observed, and the sample of PNG-900-6 possesses not only the thin film structure with enhanced surface area but also the smaller grain size of PNG attachments. Accordingly, such PNGs show a great improvement of catalytic performance in the dehydrochlorination of EDC, and the PNG-900-6 catalyst behaves the best with a 4-times higher activity than that on the nitrogen doped graphene (NG). It was also proved that the synergetic effect of the unique P-C coordination on the graphene to generate more quaternary nitrogen species was crucial in determining the catalytic performance of EDC conversion. Our results demonstrate that the phosphorus and nitrogen co-doped graphene offers many advantages in physical structure and chemical property, and are also great potential on the catalytic application in the dehydrochlorination of 1,2-dichloroethane.

研究领域: 材料科学 · 催化化学
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SCIENCE OF THE TOTAL ENVIRONMENT · 2024 · IF 8.2

Computational-aided analysis of the pathway and mechanism of dichloroacetonitrile formation from phenylalanine upon chloramination

Rui Yu,Yunkun Qian,Yanan Chen,Yijun Shi,Jun Guo,Dong An

Dichloroacetonitrile (DCAN) is an emerging disinfection by-product (DBP) that is widespread in drinking water. However, the pathway for DCAN formation from aromatic amino acids remains unclear, leading to a lack of an understanding of its explicit fate during chloramination. In this study, we investigated the specific formation mechanism of DCAN during the chloramination of phenylalanine based on reaction kinetics and chemical thermodynamics. The reason for differences between aldehyde and decarboxylation pathways was explained, and kinetic parameters of the pathways were obtained through quantum chemistry calculations. The results showed that the reaction rate constant of the rate-limiting step of the aldehyde pathway with 1.9 × 10 −11  s −1 was significantly higher than that of decarboxylation (3.6 × 10 −16  s −1  M −1 ), suggesting that the aldehyde pathway is the main reaction pathway for DCAN formation during the chloramination of phenylalanine to produce DCAN. Subsequently, theoretical calculations were performed to elucidate the effect of pH on the formation mechanism, which aligned well with the experimental results. Dehydrohalogenation was found to be the rate-limiting step under acidic conditions with reaction rate constants higher than those of the rate-limiting step (expulsion of amines) under neutral conditions, increasing the rate of DCAN formation. This study highlights the differences in DCAN formation between the decarboxylation and aldehyde pathways during the chloramination of precursors at both molecular and kinetic levels, contributing to a comprehensive understanding of the reaction mechanisms by which aromatic free amino acids generate DCAN.

CAS / MDL: 1634-04-4
研究领域: 环境科学 · 化学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Mechanochemical nitridation of micron zero-valent iron for enhanced dechlorination of trichloroethylene: Mechanistic insights into nitrogen sources and ball milling conditions

Yinghao Shi,Dong Wang,Feilong Gao,Linan Liu,Qinglong Liu,Lan Wang,Jingchun Tang

The performance optimization of zero-valent iron (ZVI) based materials for reductive dechlorination remains challenging. After extensive research on sulfidation modification, the doping of heteroatom nitrogen (N) into ZVI for reductive dechlorination of chlorinated hydrocarbons (CHCs) becomes a new promising trend. In this study, surface modification of microscale ZVI (mZVI) was carried out by a facile ball milling method, and Fe–N(C) coated mZVI (abbreviated as N(C)-mZVI bm ) synthesized from different N sources of dimethylimidazole, urea and melamine were characterized. The effects of nitrogen-to-iron ratios (N/Fe), ball milling time and speed on the reductive dechlorination of trichloroethylene (TCE) were further investigated. A series of characterization and mechanistic analysis showed that the high reactivity of N(C)-mZVI bm with melamine as nitrogen source (abbreviated as N(C)-mZVI bm (M)) was attributed to the properties and thickness of its particle passivation layer, and faster electron transfer from the reduced iron species to the surface layer. In addition, N(C)-mZVI bm (M) exhibited great performance for dechlorination at a wide pH range of 3 to 11, due to alleviated passivation of the Fe 0 core under alkaline conditions by Fe–N(C). This study presents new ideas and evidences for the environmentally friendly synthesis of N-modified ZVI materials and their practical application in groundwater remediation.

CAS / MDL: 7439-89-6 79-01-6
研究领域: 环境科学 · 材料科学
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JOURNAL OF HAZARDOUS MATERIALS · 2025 · IF 11.3

Kinetic stability and transformation pathway of halogenated nitrophenols in drinking water

Jiacheng Ge,Xiaoyan Chen,Zhenqi Du,Yingying Zhou,Ruixin Qu,Jiangdong Cui,Shunke Ding,Wenhai Chu

Halogenated nitrophenols (HNPs) have raised significant concerns due to their extensive detection and potent toxicity. Understanding how these compounds persist and degrade over time is crucial for predicting their potential accumulation and assessing the long-term exposure risks. Kinetic studies showed that the degradation of HNPs through hydrolysis and chloramination over realistic hydraulic retention times is relatively low. The species-specific second-order rate constants for the reaction of hypochlorous acid and the acid-catalyzed reaction of hypochlorous acid with anionic HNP species, which accounted for HNP degradation during chlorination, range from 3.84 ± 1.09–363.25 ± 50.44 M⁻¹min⁻¹ and from (1.50 ± 0.091) × 10⁶ to (1.34 ± 0.36) × 10⁸ M⁻²min⁻¹ , respectively. The reactivity order of reactive species in hydrolysis, chlorination, and chloramination with HNP species has also been verified through computational modeling using density functional theory. The introduction of nitro group onto HNPs significantly diminishes the electron density of the benzene ring, thereby reducing their inherent reactivity compared with other aromatic DBPs. The hydrolysis and chlorination of HNPs primarily result in the formation of halogenated hydroquinones and various polyhaloquinones and polyhalophenols, respectively. These results suggest that HNPs and their transformation products exhibit relatively high persistence and exposure risks.

CAS / MDL: 618-80-4 7681-52-9
研究领域: 环境科学 · 饮用水安全 · 毒理学
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JOURNAL OF FOOD SCIENCE · 2014 ·Vol. 79 ·期 9 ·E1695 · IF 1.791

Effects of NaCl Concentration and Potassium Chloride Substitutions on the Thermal Properties and Lipid Oxidation of Dry-Cured Pork

Yingyang Zhang,Xianchao Feng,Haizhou Wu,Jing Tang,Jianhao Zhang

en This link goes to a English section pt This link goes to a English section The thermal properties of cured meat are important for determining storage life and nutritional quality. However, few studies have focused on the thermal properties of dry-cured pork, particularly in relation to salt level and type. In order to study the thermal properties of dry-cured pork, we used differential scanning calorimetry (DSC) to evaluate the net heat energy (enthalpy, Δ H ), onset ( T onset ), and maximum ( T max ) temperatures of different pork cuts salted with mixtures of chloride (NaCl and KCl) salts within the curing and ripening temperature range. Within the curing temperature range (−5 to 20 °C), the T onset , T max , and Δ H of cured meat treated with different NaCl : KCl mixtures were generally lower than for fresh meat, which indicates that the addition of NaCl or KCl can reduce the melting of lipids and water (especially lipids), in different pork cuts. Within the ripening temperature range (5 to 50 °C), heat absorption peaks in belly and leg cuts were between 29 and 33 °C. However, no obvious heat absorption peak was found in loin cuts. Compared to non-KCl substitutions, a slightly higher KCl substitution could significantly (P < 0.05) enhance Δ H values of dry-cured belly and leg cuts. The likely cause of this phenomenon is that high KCl substitutions promote lipid oxidation ( r = 0.98, for belly; r = 0.95, for leg cuts). Therefore, KCl substitution should be no more than 30% (wt/wt), especially for high lipid pork, to prevent excessive melting and oxidation of lipids during the dry-curing process. Practial Application en This link goes to a English section pt This link goes to a English section Chloride salts (NaCl and KCl) have an important influence on the thermal properties of cured meat. Out study indicated that a high degree of KCl substitution should enhance the melting and oxidation of lipids in dry-cured pork.

CAS / MDL: 128-37-0 76-03-9
研究领域: 食品科学 · 营养学
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ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY · 2014 · IF 1.862

Tetrachlorobenzoquinone induces acute liver injury, up-regulates HO-1 and NQO1 expression in mice model: The protective role of chlorogenic acid

Demei Xu,Lihua Hu,Xiaomin Xia,Jianbo Song,Lingrui Li,Erqun Song,Yang Song

Tetrachlorobenzoquinone (TCBQ) is an active metabolite of pentachlorophenol (PCP). Although PCP has been investigated extensively, there are only a few reports describing the toxicity effect of TCBQ, and no report regarding TCBQ-induced liver injury in vivo . In the current study, we aimed to examine the acute hepatic toxicity of TCBQ in the mice model. Chlorogenic acid (CGA) exhibits promising antioxidant activity in the past studies, thus, the second aim of this study was to evaluate the protective effect of CGA on TCBQ-induced liver injury. Our results indicated TCBQ-intoxication caused marked liver cell necrosis and inflammation but not apoptosis, and this damage was alleviated by CGA treatment. Meantime, TCBQ-intoxication enhanced serum ALT, AST activities, TBIL content, hepatic oxidative stress and lipid peroxidation, decreased GSH content and inhibited the activities of antioxidant enzymes. Western blot and immunohistochemical analysis showed that TCBQ marked up-regulated HO-1 and NQO1 expression. On the other hand, pretreatment of CGA reduced TCBQ-induced liver damage remarkably. Taking together, these results revealed that TCBQ has strong hepatic toxic effect, and at least a part of this effect is initiated by free radical and relieved with CGA administration.

研究领域: 毒理学 · 药理学 · 分子生物学
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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2016 · IF 1.207

Simultaneous desulfurization and denitrification of sintering flue gas via composite absorbent

Jie Wang,Wenqi Zhong

Experiments on simultaneous absorption of SO 2 and NO X from sintering flue gas via a composite absorbent NaClO 2 /NaClO were carried out. The effects of various operating parameters such as NaClO 2 concentration ( m s ), NaClO concentration ( m p ), molar ratio of NaClO 2 /NaClO ( M ), solution temperature ( T R ), initial solution pH, gas flow ( V g ) and inlet concentration of SO 2 ( C S ) and NO ( C N ) on the removal efficiencies of SO 2 and NO were discussed. The optimal experimental conditions were determined to be initial solution pH   =   6, T R   =   55   °C and M   =   1.3 under which the average efficiencies of desulfurization and denitrification could reach 99.7% and 90.8%, respectively. Moreover, according to the analysis of reaction products, it was found that adding NaClO to NaClO 2 aqueous solution is favorable for the generation of ClO 2 and Cl 2 which have significant effect on desulfurization and denitrification. Finally, engineering experiments were performed and obtained good results demonstrating that this method is practicable and promising.

研究领域: 环境工程 · 化学工程 · 能源技术 · 污染控制 · 工业生态学
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CERAMICS INTERNATIONAL · 2018 · IF 3.057

Effects of chlorides on the phase transformation of alumina

Xiuxiu Zou,Peng Wang,Zongde Wang,Guorong Fan,Shangxing Chen,Shengliang Liao,Hongyan Si,Meijuan Lu

The discovery that γ -alumina can be prepared at lower calcination temperature from an ammonium aluminum carbonate hydroxide (AACH) precursor templated with rosinyl trimethyl ammonium chloride has led to the assumption that Cl - is capable of lowering the temperature of the phase transformation of AACH to γ -alumina. To verify this hypothesis, several chlorides were introduced into the calcination process of the AACH precursor. The samples were characterized using X-ray diffraction, thermogravimetry and differential scanning calorimetry as well as X-ray photoelectron spectroscopy. The results showed that Cl - has great effects on the crystallinity of γ -alumina obtained by the calcination of AACH. The effects varied with the type, dosage and introduction method of the particular chloride. It was also found that Cl - began to take effect only after the AACH had been decomposed to form amorphous alumina . Therefore, the true function of Cl - is to decrease the temperature of the phase transformation from the amorphous phase to γ -alumina: the phase transformation temperature decreases by as much as 115 K.

CAS / MDL: 555-31-7
研究领域: 材料科学 · 化学工程
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SCIENCE OF THE TOTAL ENVIRONMENT · 2019 · IF 5.589

Iodo-trihalomethanes formation during chlorination and chloramination of iodide-containing waters in the presence of Cu2+

Jing Liu,Jing Wang,Jie Zhang,Yang Mu

In this study, the impact of Cu 2+ on the formation of iodo-trihalomethanes (I-THMs) during chlorination and chloramination of iodide-containing waters was investigated. Initially, the oxidant consumption and evolution of hypoiodous acid (HOI) were determined during disinfection in the presence of Cu 2+ and the interaction between natural organic matter humic acid (HA) and Cu 2+ was also analyzed. Subsequently, the formation of the I-THMs at various Cu 2+ concentrations was evaluated for chlorination and chloramination. Moreover, in order to explore the possible underlying mechanisms, five model compounds based on the HA structure were used to investigate the I-THMs formation with and without Cu 2+ during disinfection. The results indicated that the presence of Cu 2+ markedly affected the conformation of the HA rather than the HOI evolution during disinfection. The concentration of the I-THMs decreased from 34.5 ± 0.8 to 20.9 ± 0.8 nM as the Cu 2+ concentration increased from 0 to 20 μM during chlorination. In contrast, during chloramination, the total I-THMs concentration decreased from 320.7 ± 7.4 to 267.2 ± 10.7 nM as the Cu 2+ concentration increased from 0 to 5 μM and then increased to 315.0 ± 1.7 nM when the Cu 2+ concentration reached 20 μM. The disinfection experiments with the model compounds suggested that the impact of Cu 2+ on the I-THMs formation largely depended on the organic structures in the HA, thus leading to different results during chlorination and chloramination.

CAS / MDL: 533-58-4 540-38-5
研究领域: 环境科学 · 水处理工程
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PROCESS SAFETY AND ENVIRONMENTAL PROTECTION · 2020 · IF 4.966

Dechlorination of polyvinyl chloride by hydrothermal treatment with cupric ion

Dachao Ma,Liwu Liang,Erfeng Hu,Huaquan Chen,Dongbo Wang,Chao He,Qingge Feng

Hydrothermal treatment (HTT) is able to remove chlorine effectively from polyvinyl chloride (PVC), however, the reaction temperature is critical in practical application. Less energy-intensive hydrothermal dechlorination condition with cupric ion (Cu 2+ ) has been proposed in this study. In particular, Cu 2+ was applied in HTT of PVC at temperature ranging from 200 °C to 240 °C. It has been found that the introduction of Cu 2+ distinctly accelerated PVC decomposition and dechlorination at 220 °C. When Cu 2+ concentration was increased from 0.01 mol/L to 0.20 mol/L, the dechlorination efficiency was significantly improved from 15.46 %–67.89 %. Dramatic dechlorination occurred as residence time was longer than 15 min during HTT. Besides, both elimination and substitution dominated the HTT dechlorinaton. The facilitated dechlorination after the addition of Cu 2+ was mainly due to the enhanced dispersion and formation of micropores in hydrochar. On the whole, HTT could be a promising pretreatment technology for copper-containing PVC in electronic wastes to prepared chlorine free hydrochar for combustion or pyrolysis applications, the optimal HTT condition would be 220 °C, 60 min with 0.1 mol/L Cu 2+ .

CAS / MDL: 9002-86-2
研究领域: 环境科学 · 化学工程
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