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学者姓名：席晓丽
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摘要 ：
Tungsten coatings have unique properties such as high melting points and hardness and are widely used in the nuclear fusion and aviation fields. In experiments, compared to pure Na2WO4 molten salt, electrolysis with Na2WO4-WO3 molten salt results in a lower deposition voltage. Herein, an investigation combining experimental and computational approaches was conducted, involving molecular dynamics simulations with deep learning, high-temperature in situ Raman spectroscopy and activation strain model analysis. The results indicated that the molten salt system's behaviour, influenced by migration and polarization effects, led to increased formation of Na2W2O7 in the Na2WO4-WO3 molten salt, which has a lower decomposition voltage and subsequently accelerated the cathodic deposition of tungsten. We analyzed the mechanism of the effect of the electric field on the Na2W2O7 structure based on the bond strength and electron density. This research provides crucial theoretical support for the effect of electric field on tungsten in molten salt and demonstrates the feasibility of using machine learning-based DPMD methods in simulating tungsten-containing molten salt systems.
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| GB/T 7714 | Guo, Yuliang , Sun, Xiaobo , Jiao, Handong et al. Effect of electric fields on tungsten distribution in Na2WO4-WO3 molten salt [J]. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 2024 , 26 (8) : 6590-6599 . |
| MLA | Guo, Yuliang et al. "Effect of electric fields on tungsten distribution in Na2WO4-WO3 molten salt" . | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 26 . 8 (2024) : 6590-6599 . |
| APA | Guo, Yuliang , Sun, Xiaobo , Jiao, Handong , Zhang, Liwen , Qin, Wenxuan , Xi, Xiaoli et al. Effect of electric fields on tungsten distribution in Na2WO4-WO3 molten salt . | PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 2024 , 26 (8) , 6590-6599 . |
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摘要 ：
Background: The separation of tungsten and molybdenum has always been a significant challenge. Metal organic frameworks (MOFs) has potential to solve the problem. In this study, the adsorption and separation performance of UiO-66 for tungsten and molybdenum and adsorption mechanism were investigated. Methods: UiO-66 was synthesized by solvothermal method. The physical and chemical properties of UiO-66 and adsorption mechanism were characterized and analyzed by XRD, SEM-EDS, FT-IR, Zeta-potential, XPS and thermodynamic analysis, the adsorption and separation performance of Mo/W using UiO-66 were evaluated by ICP-OES. Significant findings: UiO-66 with uniform pore size could be obtained under the conditions of crystallization for 24 h at 180 degrees C. This study revealed superior Mo/W separation performance under acidic conditions, where the adsorption capacity for Mo (QMo) of UiO-66 was 219.4 mg center dot g-1 and the highest separation factor (beta Mo/W) was 52.3. It was found that the mechanism involved the effect of pore size, electrostatic attraction and the metal point Zr had stronger affinity for Mo. This material was expected to serve as an eco-friendly and reusable adsorbent for separation of tungsten and molybdenum in resource recovery, aiming for high-quality regeneration of both metals.
关键词 ：
Tungsten Tungsten Separation Separation UiO-66 UiO-66 Molybdenum Molybdenum Adsorption Adsorption
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| GB/T 7714 | Zhang, Congjian , Ma, Liwen , Xi, Xiaoli et al. Separation of molybdenum and tungsten using selective adsorption with zirconium based metal organic framework [J]. | JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , 2024 , 165 . |
| MLA | Zhang, Congjian et al. "Separation of molybdenum and tungsten using selective adsorption with zirconium based metal organic framework" . | JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS 165 (2024) . |
| APA | Zhang, Congjian , Ma, Liwen , Xi, Xiaoli , Nie, Zuoren . Separation of molybdenum and tungsten using selective adsorption with zirconium based metal organic framework . | JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS , 2024 , 165 . |
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摘要 ：
A modified zirconium (Zr)-based metal organic framework (UiO-66-CTAB) was synthesized by solvothermal method, and used for the adsorption and separation of molybdenum (Mo) and tungsten (W). Under the optimized conditions, UiO-66-CTAB with uniform pore size and containing particles with tetrahedral cage structure could be obtained. UiO-66-CTAB showed BET surface area and micropore volume of 873.848 m(2)g(-1) and 0.403 cm(3)g(-1), respectively, with the particle size range of 200-300 nm. It acquired positive charge at pH < 7, thus it could get easily connected with the negatively charged Mo species. The material shows excellent adsorption of Mo and its effective separation from W in acidic solution. It is beneficial for separation at room temperature under the optimal contact time of 3 h. The adsorption capacity for Mo (Q(Mo)) was 355 mgg(-1) and the highest separation factor (beta(Mo/W)) was 51.4. Comprehensive analysis of XRD, SEM, FT-IR spectroscopy, XPS, and thermodynamic results indicate that the adsorption mechanism involved the selectivity of the effect of pore size, stronger affinity of the metal point Zr for Mo, and coordination interaction between the N atom of CTAB and Mo element, which allowed more Mo-homopoly acid ions to enter the cage and significantly hindered the entrance of W-homopoly acid ions into the UiO-66-CTAB. The adsorbent UiO-66-CTAB can be considered as a potential candidate for new and green adsorbent materials for the separation and recovery of W and Mo in the treatment of ores, wastes, and wastewater, which is beneficial for environmental protection.
关键词 ：
Molybdenum Molybdenum Zr-MOFs Zr-MOFs Adsorption Adsorption Tungsten Tungsten Modification Modification
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| GB/T 7714 | Zhang, Congjian , Ma, Liwen , Xi, Xiaoli et al. Adsorption and separation performance of tungsten and molybdenum on modified zirconium based metal organic frameworks UiO-66-CTAB [J]. | JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING , 2024 , 12 (5) . |
| MLA | Zhang, Congjian et al. "Adsorption and separation performance of tungsten and molybdenum on modified zirconium based metal organic frameworks UiO-66-CTAB" . | JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING 12 . 5 (2024) . |
| APA | Zhang, Congjian , Ma, Liwen , Xi, Xiaoli , Nie, Zuoren . Adsorption and separation performance of tungsten and molybdenum on modified zirconium based metal organic frameworks UiO-66-CTAB . | JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING , 2024 , 12 (5) . |
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摘要 ：
With the widespread expansion of titanium applications and its significant increase in usage, the issue of recycling titanium resources after consumption has emerged. Focusing on titanium alloys with high usage, such as TC4 (Ti-6Al-4V), this article proposes a titanium separation and recovery method based on molten salt electrolysis. This method thoroughly analyzes the characteristics of elements in TC4 and electrochemical principles, ensuring that vanadium in the TC4 alloy does not undergo electrochemical dissolution when the electrolysis potential is below 0.3 V vs Pt. Subsequently, through electrochemical analysis, it was discovered that the precipitation of aluminum ions is influenced by concentration. Therefore, by controlling the concentration of aluminum in the eutectic molten salt, such as increasing the electrolyte concentration and shortening the electrolysis time, the precipitation of aluminum can be effectively avoided. Under the experimental conditions mentioned above, vanadium elements deposit at the bottom of the crucible in the form of anode slime, while aluminum dissolves and remains in the electrolyte. Meanwhile, titanium ions in the cathode region undergo electron reduction and deposit in the cathode area in the form of titanium, thus achieving precise separation of alloy elements. Experimental verification shows that the purity of the obtained titanium reaches 99.17 atomic percent. Therefore, this molten salt electrolysis method, which combines the physical properties of alloy elements with electrochemical principles, not only provides a new perspective for the separation and recovery of titanium and other critical metals, but also offers new research directions for the recovery technology of other alloy elements.
关键词 ：
Titanium scrap Titanium scrap Electrochemistry Electrochemistry Molten salt electrolysis Molten salt electrolysis Purity titanium Purity titanium
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| GB/T 7714 | Lv, Hongzhan , Zhang, Liwen , Xi, Xiaoli et al. Study on separation and purification of titanium alloys (TC4-6Al-4V) by molten salt electrolysis [J]. | SEPARATION AND PURIFICATION TECHNOLOGY , 2024 , 354 . |
| MLA | Lv, Hongzhan et al. "Study on separation and purification of titanium alloys (TC4-6Al-4V) by molten salt electrolysis" . | SEPARATION AND PURIFICATION TECHNOLOGY 354 (2024) . |
| APA | Lv, Hongzhan , Zhang, Liwen , Xi, Xiaoli , Nie, Zuoren . Study on separation and purification of titanium alloys (TC4-6Al-4V) by molten salt electrolysis . | SEPARATION AND PURIFICATION TECHNOLOGY , 2024 , 354 . |
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摘要 ：
The environmentally friendly disposal of antibiotic wastewater has elicited widespread concern. Herein, lavender-like WO3/ZnIn2S4 heterostructures are constructed by in-situ anchoring ZnIn2S4 nanosheets onto WO3 nanorods and applied to the photocatalytic degradation of tetracycline (TC). When ZnIn2S4 and WO3 are successfully coupled at a molar ratio of 0.3:1, the resultant product WZ-3 exhibits optimal photocatalytic performance, which is 4.7 and 1.5 times higher than that of WO3 and ZnIn2S4, respectively. Such an improvement is originated from the enlarged specific surface area, increased light harvesting, and effective carriers separation facilitated by the formation of an S-scheme heterojunction, which is corroborated through density functional theory (DFT) calculations and experimental characterizations. Moreover, this study elucidates the mechanism governing TC degradation, including its degradation pathways.
关键词 ：
WO3 WO3 Lavender-like structure Lavender-like structure Photocatalysis Photocatalysis S-scheme heterojunction S-scheme heterojunction Tetracycline Tetracycline
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| GB/T 7714 | Shen, Yuegang , Liu, Yangsi , Xi, Xiaoli et al. Lavender-like S-scheme WO3/ZnIn2S4 heterostructures for boosting photocatalytic degradation of tetracycline [J]. | JOURNAL OF SOLID STATE CHEMISTRY , 2024 , 329 . |
| MLA | Shen, Yuegang et al. "Lavender-like S-scheme WO3/ZnIn2S4 heterostructures for boosting photocatalytic degradation of tetracycline" . | JOURNAL OF SOLID STATE CHEMISTRY 329 (2024) . |
| APA | Shen, Yuegang , Liu, Yangsi , Xi, Xiaoli , Nie, Zuoren . Lavender-like S-scheme WO3/ZnIn2S4 heterostructures for boosting photocatalytic degradation of tetracycline . | JOURNAL OF SOLID STATE CHEMISTRY , 2024 , 329 . |
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摘要 ：
The recovery of spent hydrogenation catalysts occupies advantages in both alleviating environmental burden and resource shortage. Whereas, the development of conventional hydrometallurgical recovery of molybdenum (Mo) and nickel (Ni) from spent MoNi/Al2O3 catalysts has been limited by the numerous processes and the accompanying generation of waste liquids and residues. Herein, A new recycling route for the preparation of spent hydrogenation catalysts with low thermal expansion coefficients (CTE) was proposed, which has the advantages of short process, green environment and high value utilization. The Li2O-Al2O3-SiO2-B2O3 (LASB) parent glass containing Mo and Ni were obtained by melting with different contents of the spent catalysts. The thermal expansion coefficient of the glass was minimized to 6.08 x 10-6/degrees C at an addition of 25 wt% of the spent catalysts. Moreover, according to the crystallization peak in DTA curve, glass-ceramics were prepared by onestep crystallization heat treatment at different crystallization temperatures. The main crystalline phase of the glass-ceramic precipitated by heating at 685 degrees C is beta-quartz (Li2Al2Si3O10), which gives the glass-ceramics the lowest coefficient of thermal expansion (0.96 x 10-6/degrees C) of glass-ceramic as well as the maximum density (2.45 g/cm3) and Vickers hardness (705.8 Hv). Furthermore, the activation energy (354.65 +/- 17.42) kJ/mol) and Avrami index (5.39) associated with crystallization were extracted from the fitting of different theoretical model, indicating the three-dimensional crystallization of the LASB glass-ceramics. This technology provides a waste-tomaterial strategy for hazardous waste and a clean production route for the preparation of the functional glassceramics.
关键词 ：
Low thermal expansion coefficient Low thermal expansion coefficient Glass -ceramics Glass -ceramics Spent hydrogenation catalysts Spent hydrogenation catalysts Li2O-Al2O3-SiO2-B2O3 Li2O-Al2O3-SiO2-B2O3
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| GB/T 7714 | Xu, Laiguang , Xi, Xiaoli , Cai, Yuanyuan et al. Preparation of Li2O-Al2O3-SiO2-B2O3(LASB)glass-ceramic with low thermal expansion coefficient from spent hydrogenation catalysts and crystallization kinetics [J]. | CERAMICS INTERNATIONAL , 2024 , 50 (10) : 17873-17881 . |
| MLA | Xu, Laiguang et al. "Preparation of Li2O-Al2O3-SiO2-B2O3(LASB)glass-ceramic with low thermal expansion coefficient from spent hydrogenation catalysts and crystallization kinetics" . | CERAMICS INTERNATIONAL 50 . 10 (2024) : 17873-17881 . |
| APA | Xu, Laiguang , Xi, Xiaoli , Cai, Yuanyuan , Wei, Xipeng , Zhao, Zhiyong , Tian, Yingliang . Preparation of Li2O-Al2O3-SiO2-B2O3(LASB)glass-ceramic with low thermal expansion coefficient from spent hydrogenation catalysts and crystallization kinetics . | CERAMICS INTERNATIONAL , 2024 , 50 (10) , 17873-17881 . |
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摘要 ：
The adsorption and separation of tungsten and molybdenum are important for efficient recycling of W-Mo resources, which requires green and efficient adsorbents. In this paper, Chitosan (CS)-D301 material was obtained by impregnation method and was applied to adsorb and separate W and Mo in solutions. The adsorption optimization results indicated that W was adsorbed by CS-D301, the separation factor of W/Mo increased to 26.45 compared with that of CS 21.34. The desorption efficiency was still above 94 % after five adsorption-desorption cycles. FT-IR, XPS and DFT theoretical calculations indicated that the surface group N+-R of CS-D301 showed more affinity for W, making it easier to selectively adsorb W over Mo than CS only. N was the surface-active adsorption site, and the adsorption process belonged to chemical adsorption with an adsorption energy of Eads = -957.64 kcal/mol. CS-D301 was expected to become green adsorbent for efficient separation of W and Mo to support resource recovery, protection and sustainable development.
关键词 ：
D301resin D301resin Tungsten Tungsten DFT DFT Chitosan Chitosan Adsorption Adsorption
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| GB/T 7714 | Chen, Na , Ma, Liwen , Xi, Xiaoli et al. The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation [J]. | APPLIED SURFACE SCIENCE , 2024 , 681 . |
| MLA | Chen, Na et al. "The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation" . | APPLIED SURFACE SCIENCE 681 (2024) . |
| APA | Chen, Na , Ma, Liwen , Xi, Xiaoli , Nie, Zuoren . The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation . | APPLIED SURFACE SCIENCE , 2024 , 681 . |
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摘要 ：
This research focused on analyzing the electrochemical properties of tantalum ions in NaCl-KCl molten salt during the extraction of tantalum and the synthesis of tantalum nano-powder. Tantalum ions were dissolved from the anode. Linear sweep voltammetry, cyclic voltammetry, square wave voltammetry, and chronoamperometry were employed to delve into the reduction and diffusion processes of tantalum ions. The study determined the diffusion coefficient, the nucleation process, and the deposition potential for tantalum ions. The findings revealed that the electrode reduction process of tantalum ions involved a three-step reaction: Ta5+-> Ta3+-> Ta+-> Ta. This reaction was shown to be reversible and diffusion-controlled. The nucleation mode of tantalum ions was identified as instantaneous nucleation followed by progressive nucleation as the potential increased by chronoamperometry analysis. The cathodic deposition product was characterized using XRD, SEM, EDS, and TEM techniques, confirming the nanoscale granular nature and microstructure of the deposition products.
关键词 ：
anodic dissolution anodic dissolution nucleation mode nucleation mode nano-powder nano-powder Tantalum Tantalum electrochemical behavior electrochemical behavior
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| GB/T 7714 | Liu, Teng , Zhang, Liwen , Xi, Xiaoli et al. Electrochemical behavior of tantalum ions in molten salt electrolysis for nano-powder preparation [J]. | MATERIALS RESEARCH BULLETIN , 2024 , 182 . |
| MLA | Liu, Teng et al. "Electrochemical behavior of tantalum ions in molten salt electrolysis for nano-powder preparation" . | MATERIALS RESEARCH BULLETIN 182 (2024) . |
| APA | Liu, Teng , Zhang, Liwen , Xi, Xiaoli , Nie, Zuoren . Electrochemical behavior of tantalum ions in molten salt electrolysis for nano-powder preparation . | MATERIALS RESEARCH BULLETIN , 2024 , 182 . |
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摘要 ：
In the process of molten salt electrolysis of spent tungsten carbide for the separation of tungsten and cobalt, the nature of the molten salt has a crucial impact on product quality and efficiency. In this study, the microscopic and macroscopic models of the diffusion layer of Na2WO4-WO3-CoO molten salt were developed. The structure, transport properties and electroanalytical behavior of Na2WO4-WO3-CoO molten salt were investigated by combining molecular dynamics and finite element simulation under different CoO and WO3 molar ratios and different applied electric field conditions. The cost of this approach is relatively low compared to experiments. It was found that the addition of CoO hinders the mass transfer and increases the electrochemical impedance. The reason for this is that the addition of CoO leads to an increase in the entropy of the molten salt. The change in external electric field does not affect this law. The calculated results are in general agreement with the available experimental data. In the study of the structure of molten salts, the vacancy volume factor, which is a metric for evaluating the size of the vacancy volume of molten salts, was proposed for the first time. The addition of CoO also affects the microstructure, which can be used to infer changes in the electrodeposition products. Experimental results of electrodeposition support this speculation. This study confirms that a combination of macroscopic and microscopic, molecular dynamics and finite element simulations can theoretically aid the development of molten salt electrolysis processes.
关键词 ：
Molten salt Molten salt Electroanalysis Electroanalysis Na2WO4-WO3-CoO Na2WO4-WO3-CoO Transport properties Transport properties Molecular dynamics Molecular dynamics
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| GB/T 7714 | Wang, Xinda , Zhang, Liwen , Ma, Liwen et al. Multiscale modeling of Na2WO4-WO3-CoO melt diffusion layer for molecular dynamics combined with finite element analysis [J]. | MATERIALS CHEMISTRY AND PHYSICS , 2024 , 311 . |
| MLA | Wang, Xinda et al. "Multiscale modeling of Na2WO4-WO3-CoO melt diffusion layer for molecular dynamics combined with finite element analysis" . | MATERIALS CHEMISTRY AND PHYSICS 311 (2024) . |
| APA | Wang, Xinda , Zhang, Liwen , Ma, Liwen , Xi, Xiaoli , Nie, Zuoren . Multiscale modeling of Na2WO4-WO3-CoO melt diffusion layer for molecular dynamics combined with finite element analysis . | MATERIALS CHEMISTRY AND PHYSICS , 2024 , 311 . |
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摘要 ：
In this study, tungsten and cobalt were extracted from cemented carbide scrap by three-stage electrodeposition in Na 2 WO 4 molten salt at 900 degrees C in air atmosphere. The cemented carbide scrap was used as the consumable anode, while the cemented carbide calcined material was used as the electrolytically active substance additive. The composition of the cemented carbide calcined material was determined by thermodynamic calculations combined with XRD phase analysis. The study investigated the promoting effect of air atmosphere on anode oxidation and the effect of varying the molar ratio of tungsten to cobalt in the molten salt on product composition. Cyclic voltammetry was used to analysed the cathodic reduction behaviour of tungsten and cobalt. The nucleation mechanism of tungsten and cobalt was determined to be instantaneous by chronoamperometry. Finally, metallic tungsten and cobalt were successfully separated and extracted by three-stage constant current electrolysis.
关键词 ：
Molten salt electrolysis Molten salt electrolysis Cemented carbide Cemented carbide Recovery Recovery Air atmosphere Air atmosphere
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| GB/T 7714 | Tang, Kuancheng , Zhang, Liwen , Fang, Qi et al. Study on the air atmosphere molten salt electrolytic extraction of tungsten and cobalt from cemented carbide scrap [J]. | INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS , 2024 , 121 . |
| MLA | Tang, Kuancheng et al. "Study on the air atmosphere molten salt electrolytic extraction of tungsten and cobalt from cemented carbide scrap" . | INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS 121 (2024) . |
| APA | Tang, Kuancheng , Zhang, Liwen , Fang, Qi , Liu, Chunjia , Li, Rong , Xi, Xiaoli et al. Study on the air atmosphere molten salt electrolytic extraction of tungsten and cobalt from cemented carbide scrap . | INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS , 2024 , 121 . |
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