APPLIED GEOCHEMISTRY
·
2017
·
IF 2.581
Wei Zhang,Li Zhou,Hongfeng Tang,Heping Li,Wenlei Song,Gang Xie
The solubility of fluorite in hydrothermal conditions is important in ore forming and geothermal processes and groundwater utilization. However, a quantitative description of the geochemical behavior of fluorite under hydrothermal conditions has not been previously reported. In this work, the solubility of fluorite in Na-K-Cl solutions at temperatures up to 260 °C and ionic strengths up to 4 M was determined by experiments and modeling. The solubility products obtained in this work at 30 and 50 °C under ambient pressure and those from literature were used to regress the density model parameters for fluorite solubility product calculation at high temperature. The Pitzer interaction model was adopted to calculate the activity coefficient . The fluorite solubility determined in KCl solution at 250 °C under vapor saturated pressure and that from the literature were combined with the low-temperature thermodynamic properties of heat capacity and osmotic coefficient to obtain the binary parameters of NaF and KF at temperatures up to 260 °C. A thermodynamic model was then developed for calculating the fluorite solubility in Na-K-Cl solution at temperatures up to 260 °C, under vapor saturated pressure and ionic strengths up to 4 M. As calculated from this model, fluorite solubility measured at 200 °C and 0.1 M NaCl was well predicted. Both temperature and ionic strength had significant effects on fluorite solubility, and fluorite exhibited a similar dissolution pattern in both NaCl and KCl solution. When the concentration was lower than 2 M, the solubility of fluorite first increased with temperature, reached a maximum at approximately 100 °C, and then decreased. When the concentration was higher than 2 M, the solubility of fluorite increased monotonically with temperature.
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WATER RESEARCH
·
2024
·
IF 11.4
Jinxiu Lou,Lu Yin,Feilong Dong,Zhanfei He,Huijie Lu,Shuangxi Fang,Xiangliang Pan
Nitrogenous disinfection byproducts (N-DBPs) are notorious for their serious health risks, yet nitrate (NO 3 - ) mediates N-DBPs generation during UV/chlorine treatment remains unexplored. This study investigated the interaction of chlorine and NO 3 - on N-DBPs formation and developed a specific fragment-based screening method using UPLC-QTOF-MS to explore the underlying mechanism. Results showed that the chlorine-to-nitrogen (Cl/NO 3 - -N) molar ratio significantly affects dichloroacetonitrile (DCAN) and dichloroacetamide (DCAM) generation, with peak concentrations at a Cl/NO 3 - -N molar ratio of around 15. NO 3 - promotes the production of HO • , which positively correlates with DCAN and DCAM concentrations, also peaking at this ratio. Utilizing our developed method, three key hydroxyl-substituted intermediates that circumvent the previously reported “limiting-steps” in DCAN formation were identified. This reaction proceeds via a stepwise mechanism involving hydroxylation and chlorine substitution to produce hydroxyl-phenylacetonitrile and hydroxyl-chlorine-phenylacetonitrile. The conversion rate of hydroxyl-chlorine-phenylacetonitrile to DCAN was 8.6 times higher at Cl/NO 3 - -N molar ratio of 15 compared to conditions without NO 3 - , attributed to the weakened bond strength of the side chain, as supported by density functional theory calculations. This study provides novel insights into the mechanistic pathways of DCAN and DCAM formation, critical for developing more effective drinking water disinfection technologies to control N-DBPs.
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高影响因子
Nanoscale
·
2024
·Vol. 17
·期 1
·567-574
·
IF 5.8
Jia-Lei Xu,Rui-Dong Shi,Hai-ping Zhou,Guo-Tao Xiang,Zi-Dong Zhou,Yong-Da Hu,Jin-Ju Chen
Silver nanowires (AgNWs) with high aspect ratios are pivotal for the production of flexible transparent conductive films (TCFs). The growth of AgNWs is significantly influenced by the strong affinity of halogen ions for silver ions. This affinity plays a crucial role in the controlled deposition of silver along the nanowire axis. By precisely controlling the concentrations of Cl− and Br− ions, we have successfully synthesized AgNWs with remarkable lengths of 96 μm and diameters of 40 nm, achieving an impressive aspect ratio of 2400. Utilizing density functional theory and molecular dynamics simulations, we investigate the impact of these ions on the growth of AgNWs. Our findings reveal that halogen ions strongly adsorb onto the Ag (100) plane in the radial direction, with Cl− ions promoting anisotropic growth and Br− ions effectively limiting the nanowire diameter, thus achieving high aspect ratio AgNWs. The resulting TCFs exhibit a high transmittance of 95.0% at 550 nm and a low sheet resistance of 14.7 Ω sq−1. Moreover, when integrated into a flexible transparent heater, these TCFs demonstrate a high heating rate of 12.1 °C s−1. The development of AgNWs is poised to significantly enhance the performance and versatility of flexible TCFs.
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Jialiang Jiang,Jinju Zheng,Hui Fu,Hao Zhang,Deliu Ou,Qiaochu Chen,Kai Wang,Sheng Cao,Jialong Zhao,Zhentao Du,Weiyou Yang
Vacancy-ordered double perovskites (DPs) are promising candidates for modern white light-emitting-diodes (WLEDs) due to their low toxicity and unique optical properties. However, the grand challenge is that DPs synthesized at room temperature (RT) typically have a low photoluminescence quantum yield (PLQY), most of which reported below 51 %, making them impractical for applications. Here, we present a facile strategy for the mass production of Bi 3+ and Te 4+ co-doped Cs 2 HfCl 6 (CHC) DPs at RT, to realize single-component dual-band emission with a high color rendering index. It is witnessed that the rationally designed ligand [Hmim]Cl facilitates a strong chemical interaction between the ligand and DPs. This interaction allows [Hmim]Cl to coordinate with undercoordinated Hf 4+ ions and provide excess chloride ions to the surface of the DPs. Consequently, it effectively controls the crystallization of DPs, protects them against moisture, reduces surface defects, and increases the migration barrier of halogen ions. As a result, the DPs exhibit excellent overall performance with robust photostability and a superior PLQY of 96.4 %, which is ∼ 2 times the highest reported value for similar DPs synthesized at RT. Current work presents a potential pathway for the mass production of high-quality DPs under mild conditions, leading to the development of signal-component WLEDs.
研究领域:
材料科学
·
光电技术
·
纳米技术
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Xun Liu,Danyal Rehman,Yufei Shu,Bei Liu,Li Wang,Li Li,Mengxia Wang,Kunkun Wang,Qi Han,Linlin Zang,John H. Lienhard,Zhongying Wang
Selective capacitive deionization (SCDI) is a promising process for preferentially removing specific ions from waters with complex compositions. The selectivity towards certain species in CDI is most frequently achieved through novel electrode materials with high affinities towards targeted species. In this study, we investigate the selective removal of fluoride ions from groundwater containing concentrated co-existing chloride ions. A carbon nanotube-CeO 2 (CNT-CeO 2 ) electrode is employed for the electro-sorption of fluoride ions. Our findings are compelling: when processing a mixed F − /Cl − solution comprising 10 mg/L F − and 100 mg/L Cl − , the CNT-CeO 2 electrode is seen to reduce the concentration of F − ions to 1.5 mg/L in just 150 min, amounting to an 85 % F − removal efficiency, while the Cl − removal efficiency remains below 2 %. Importantly, this translates to a F − /Cl − separation factor of up to 4.16 when using the CeO 2 -based electrodes, which is 40 times higher than that achieved with conventional activated carbon (AC) electrodes. Furthermore, the energy consumption for treating actual groundwater using scaled-up equipment is impressively low at approximately 0.2 kWh/m 3 . The high affinity of CNT-CeO 2 towards fluoride is attributed to the intercalation Faraday capacitance initiated by the reaction between F − with CeO 2 , as verified by the electrochemical quartz crystal microbalance (EQCM). Moreover, EQCM results show a substantial increase in both mass and current as the potential increased beyond 0.8 V vs Ag/AgCl, implying that the current surge is not a result of water splitting but rather the adsorption of F − onto the CNT-CeO 2 electrode. The addition of CNTs substantially increases the conductivity of CeO 2 electrodes and restricts the aggregation of CeO 2 , thereby accelerating ion diffusion and promoting selective adsorption characteristics. Importantly, our electro-driven approach demonstrates excellent adsorption–desorption over 20 cycles. This comprehensive study advances the technological development of selective CDI, while providing new insights for fluoride removal in groundwater.
研究领域:
环境工程
·
水处理
·
电化学
·
材料科学
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高影响因子
TALANTA
·
2020
·
IF 5.339
Xu Zhi,Ying Qian
Hypochlorous acid (HOCl/ClO − ), a reactive oxygen species (ROS), plays an indispensable role in the human immune system. In this article, a novel red-emission phenothiazine fluorescent protein chromophore RFP-Ptz was developed for the detection of HOCl in cells. In the presence of HOCl, the fluorescence signal 610 nm rose gradually and reached its plateau with 15-fold enhancement; the fluorescence quantum yield increased from 0.01 to 0.12. The electrophilic substitution of Cl + towards phenolic hydroxyl group made the probe exhibited a high selective fluorescence response with a limit of detection (LOD) of 6.76 × 10 −7 M over other analyte species and ROS. This recognition mechanism of oxygen‒chlorine bond (O–Cl) formation has confirmed by HRMS . Finally, the RFP-Ptz can be used to response HOCl with low cytotoxicity and good biocompatibility (MTT cytotoxicity assay > 89.5%). The biocompatible RFP-Ptz was successfully applied to the fluorescence imaging of HOCl-related in SGC-7901 cells.
研究领域:
生物化学
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医学检测
·
分子生物学
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高影响因子
Research
·
2022
·
IF 11.036
Jiayu Di,Haojin Li,Li Chen,Siyu Zhang,Yinhui Hu,Kai Sun,Bo Peng,Jie Su,Xue Zhao,Yuqi Fan,Zhenhua Lin,Yue Hao,Peng Gao,Kui Zhao,Jingjing Chang
Exploring halogen engineering is of great significance for reducing the density of defect states in crystals of organic-inorganic hybrid perovskites and hence improving the crystal quality. Herein, high-quality single crystals of PEA2PbX4 (X = Cl, Br, I) and their para-F (p-F) substitution analogs are prepared using the facile solution method to study the effects of both p-F substitution and halogen anion engineering. After p-F substitution, the triclinic PEA2PbX4 (X = Cl, Br) and cubic PEA2PbX4 (X = I) crystals unifies to monoclinic crystal structure for p-F-PEA2PbX4 (X = Cl, Br, I) crystals. The p-F substitution and halogen engineering, together with crystal structure variation, enable the tunability of optoelectrical properties. Experimentally, after the p-F substitution, the energy levels are lowered with increased Fermi levels, and the bandgaps of p-F-PEA2PbX4 (X = Cl, Br, I) are slightly reduced. Benefitting from the enhancement of the charge transfer and the reduced trap density by p-F substitution and halogen anion engineering, the average carrier lifetime of the p-F-PEA2PbX4 is obviously reduced. Compared with PEA2PbI4, the X-ray detector based on p-F-PEA2PbI4 perovskite single-crystal has a higher sensitivity of 119.79 μC Gyair-1·cm-2. Moreover, the X-ray detector based on p-F-PEA2PbI4 single crystals exhibits higher radiation stability under high-dose X-ray irradiation, implying long-term operando stability.
研究领域:
材料科学
·
光电材料
·
辐射探测
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高影响因子
CRYSTAL GROWTH & DESIGN
·
2019
·
IF 4.153
Jian Tang,Xianghe Meng,Fei Liang,Kaijin Kang,Tixian Zeng,Mingjun Xia,Wenlong Yin,Zheshuai Lin,Bin Kang
Four novel cyanates BaCNOX (X = Cl, Br, I, and CNO) containing linear π-conjugated anions were obtained by solid-state metathesis reactions for the first time. BaCNOCl crystallizes in a monoclinic space group P21/m with a = 5.5757(15) Å, b = 4.4925(10) Å, c = 7.850(2) Å, β = 102.38(3)°, Z = 2, whereas the remaining three compounds belong to the same orthorhombic space group Pnma with a = 8.227–8.713 Å, b = 4.290–4.552 Å, c = 10.986–11.803 Å, Z = 4. The crystal structures of these four compounds are divergent, exhibiting rich structural diversity ranging from simple to complex when X changes from Cl to Br and I, and then to CNO. Their thermal, vibrational, and optical properties were characterized in detail. Besides, the first-principles calculations reveal that all four compounds show giant optical anisotropy of Δn > 0.20 at 800 nm owing to the superior arrangement of linear (CNO)− π-conjugated groups. Successful synthesis of these cyanates not only further explains the influence of microscopic ions on the structures, but also enriches the structure chemistry of cyanates and provides enlightenment for the study of birefringence in CNO-based compounds.
研究领域:
材料科学
·
晶体学
·
光学物理
·
理论化学
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高影响因子
Journal of Water Process Engineering
·
2026
·
IF 6.6
Jingrong Li,Song Sun,Xuehui Zhu,Xue Zhang,Hao Shi,Yuanhong Xu
An ORR/EO-Cl system using commercial electrodes achieves efficient disinfection at 5 mA/cm 2 . • Cathodic H 2 O 2 consumes anodic free chlorine to generate 1 O 2 as the dominant bactericide. • The system suppresses chlorate and chlorite formation in real medical wastewater. • Multi-level oxidative damage to membranes, DNA, proteins and lipids causes irreversible inactivation. Electrochemical disinfection of chloride-rich medical wastewater faces an inherent trade-off: killing pathogens efficiently while avoiding toxic chlorate and chlorite formation. Here we show that coupling oxygen reduction at a commercial carbon felt cathode with chlorine evolution at a DSA@Ru/Ir anode breaks this trade-off. At 5 mA/cm 2 , cathodic H 2 O 2 rapidly consumes anodic free chlorine, generating singlet oxygen ( 1 O 2 ) as the dominant bactericidal species while suppressing chlorate and chlorite. In real hospital wastewater, chlorate drops from 0.66 to 0.39 mg/L, and the system inactivates 10 7 CFU/mL Escherichia coli in 5 min and Staphylococcus aureus in 10 min-using, the energy consumption was 0.1169 kWh/m 3 and 0.2338 kWh /m 3 , respectively. Quenching, flow cytometry, DNA electrophoresis, protein carbonylation and lipid peroxidation collectively confirm that 1 O 2 -driven oxidative stress causes irreversible membrane, DNA, protein and lipid damage. This work offers a low-energy, commercially viable strategy for electrochemical disinfection of real medical wastewater with intrinsic byproduct suppression. Download: Download high-res image (85KB) Download: Download full-size image
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高影响因子
LANGMUIR
·
2025
·
IF 3.9
Meiting Li,Bingxin Yuan,Chi Zhang,Jia Li,Xuejiao Wang
Hierarchical BiOCl/BiOI and BiO(Cl,I) photocatalysts were obtained via a solution-phase reaction for visible-light-driven elimination of aqueous pollutants, where the phase/morphology evolution, relationship between energy band/microstructure structure and photocatalytic properties, and photoreaction mechanism can be deciphered in detail. It was well-documented that the R = 8:1 BiOCl/BiOI heterojunctions with a coherent interface of Bi and O atoms showed a relatively strong redox capacity owing to their rapid Z-scheme charge transfer and large interfacial contact and eventually degraded ∼92.52% and 96.57% of rhodamine B (RhB) and tetracycline (TC) molecules under 10 min of visible light irradiation, which was larger than those of bare BiOCl and BiOI. However, their poor photocatalytic stability was proved to be unfavorable to practical applications. The best BiOCl0.88I0.12 solid solutions separately elucidated the optimal RhB and TC removal efficiency of ∼99.97% and 97.54% after 10 and 6 min of illumination, and it still maintained a high photodegradation efficiency toward RhB after five consecutive runs. The exceptional photocatalytic performance is cogoverned by the characteristics of in situ generated oxygen vacancies and defect energy levels.
研究领域:
材料科学
·
环境科学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Qi-Chao Yang,Dong-Fang Qiu,Yuan-Lin Dang,Zhan-Ping Qiao,Zhi-wei Xu
Two equilibrium diagrams of the ternary system (CsX + MnX 2 + H 2 O, X = Cl, Br) at 298.15 K are reported in this paper. Each system has two double salts (CsMnX 3 ·2H 2 O and Cs 2 MnX 4 ·2H 2 O X = Cl, Br) in it and the elements of all double salts in phase diagrams are confirmed by Schreinemaker method. Equilibrium phase diagrams show that the chloride double salts are congruently soluble compounds in water, however that the bromide double salts are incongruently soluble compounds in water. All the double salts are characterized by titrimetric analysis, powder X-ray diffraction, thermogravimetric and differential thermalanalysis. The enthalpies of formation of these double salts are first calculated by measuring their enthalpies of dissolution.
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2019
·
IF 8.355
Xiaojie Qiu,Shengjiong Yang,Mawuli Dzakpasu,Xiaoping Li,Dahu Ding,Pengkang Jin,Rongzhi Chen,Qionghua Zhang,Xiaochang C. Wang
Mn 0.8 Fe 2.2 O 4 magnetic nanocrystals (Mn 0.8 Fe 2.2 O 4 MNCs) are synthesized by thermal treatment of a metal-organic framework (MOF) template, and their physicochemical properties are characterized in detail. The Mn 0.8 Fe 2.2 O 4 MNCs exhibited highly efficient performance for the catalytic degradation of Bisphenol A (BPA) by peroxymonosulfate (PMS) activation at various initial pH, catalyst dosage, and PMS concentration. A leaching solution experiment evidenced that PMS activation by the Mn 0.8 Fe 2.2 O 4 MNCs is a heterogeneous process. Interestingly, scavenging experiments and electron paramagnetic resonance (EPR) analysis demonstrated that HO is the dominant radical for BPA degradation, rather than SO 4 − . The scavenger experiment indicated that the surface-bound radicals may play the crucial role for BPA degradation. Increasing Cl − or decreasing bicarbonate concentrations in solution enhanced the catalytic degradation process significantly through non-radical pathways. The Mn 0.8 Fe 2.2 O 4 MNCs exhibited desirable stability and reusability, that the spent Mn 0.8 Fe 2.2 O 4 MNCs could be significantly regenerated by thermal treatment at 450 °C in open air. Findings from this study would expand the applications of MOFs and also provide new insights into the enhancement of degradation efficiency during PMS activation processes.
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