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CORROSION SCIENCE · 2022 · IF 7.72

Mechanism of tellurium induced nickel alloy corrosion in molten LiCl-KCl salt

Xin Du,Shaoqiang Guo,Sheng Wang

Fission product tellurium causes severe embrittlement of nickel alloys in nuclear molten fuel salt systems. This paper investigates the tellurium chemistry in molten LiCl-KCl-Li 2 Te salts and the tellurium reactions at the alloy interface. The reactions for the two-step reduction of Te 0 and the electrochemical formation of nickel tellurides have been identified from cyclic voltammograms. The corrosion of UNS N10003 alloy with different tellurium salt chemistries and applied potentials found that tellurium corrosion attack is only present at potentials more positive than the Ni 1.43 Te / Te 2 − Ni1.43Te/Te2− potential. The critical potential is thus suggested for mitigating tellurium embrittlement using the redox control technique.

研究领域: 材料科学 · 核工程 · 电化学
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Advanced Energy Materials · 2022 ·Vol. 12 ·期 14 ·2103666 · IF 29.698

3D Hierarchical Electrodes Boosting Ultrahigh Power Output for Gelatin-KCl-FeCN4−/3− Ionic Thermoelectric Cells

Yuchen Li,Qikai Li,Xinbo Zhang,Biao Deng,Chenggong Han,Weishu Liu

Ionic thermoelectric (i-TE) cells, using ions as energy carriers, have the advantage of achieving a high voltage of 1−5 V at approximately ambient temperature, showing a promise as a technology for powering Internet-of-Things (IoT) sensors. However, the low output power of i-TE cells restricts their applications. Here, a 3D hierarchical structure electrode is designed to enlarge the electroactive surface area, significantly increasing the thermogalvanic reaction sites and decreasing the interface charge transfer resistance. The quasi-solid-state gelatin-KCl-FeCN 4–/3– i-TE cells achieve a record instantaneous output power density (8.9 mW m –2 K –2 ) and an ultrahigh 2 h output energy density ( E 2h ) (80 J m –2 ) under an optimal temperature range. An average E 2h value of 59.4 J m –2 is obtained over the course of a week of operation. A wearable device consisting of 24 i-TE cells can generate a high voltage of 2.8 V and an instantaneous output power of 68 µW by harvesting body heat. A simple and easy-to-operate electrode optimization strategy is provided here to increase the long-term output power performance of i-TE cells. This work represents a promising approach to develop reliable and green power sources for IoT sensors near room temperature.

研究领域: 材料科学 · 能源技术
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JOURNAL OF THE ELECTROCHEMICAL SOCIETY · 2021 ·Vol. 168 ·期 10 ·102505 · IF 4.316

Effect of the Li Reduction to Electrodeposition of Nd-Sn Compounds in Liquid Sn Electrode in LiCl-KCl-NdCl3 Melt

Chenteng Sun,Qian Xu,Yongxiang Yang,Xingli Zou,Hongwei Cheng,Xionggang Lu

The electrochemical behaviors of Li+ and Nd3+ were investigated on W, liquid Sn pool and Sn film electrodes in LiCl-KCl-NdCl3 melt at 673 K. Various electrochemical techniques, such as cyclic voltammogram, square wave voltammogram, and open circuit chronopotentiometry, were conducted to evaluate the electrochemical behaviors of Li+ and Nd3+. The reduction of Nd3+ was found to be a two-step process in the W electrode and a one-step process in the liquid Sn electrode. During the formation of the Nd-Sn intermetallic compounds, only the NdSn3 would be formed without the reduction of the Li+ in the liquid Sn electrode. When the reduction potential moves over −2.77 V vs Cl2/Cl−, the Li+ in the electrolyte would inevitable be reduced into the liquid Sn electrode. The Nd-Sn intermetallic compounds were deposited on the liquid Sn pool electrode at −2.74 V vs Cl2/Cl− in the LiCl-KCl-NdCl3 melts for 5 h. The products were characterized by SEM-EDS and XRD. The loose product on the surface of the deposition displayed the existence of NdSn3 in Nd-Sn intermetallic compounds. The high content of Nd inclusion formed by segregation was detected in the solidified Sn electrode.

研究领域: 材料科学 · 电化学
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Journal of Chemical Theory and Computation · 2024 · IF 5.7

Deep Learning Potential Assisted Prediction of Local Structure and Thermophysical Properties of the SrCl2–KCl–MgCl2 Melt

Jia Zhao,Taixi Feng,Guimin Lu

The local structure and thermophysical properties of SrCl2–KCl–MgCl2 melt were revealed by deep potential molecular dynamicsdriven by machine learning to facilitate the development of molten salt electrolytic Mg–Sr alloys. The short- and intermediate-range order of the SrCl2–KCl–MgCl2 melts was explored through radial distribution functions and structure factors, respectively, and their component and temperature dependence were discussed comprehensively. In the MgCl2-rich system, the intermediate-range order is more pronounced, and its evolution with temperature exhibits a non-Debye–Waller behavior. Mg–Cl is dominated by 4,5 coordination and Sr–Cl by 6,7 coordination, and their coordination geometries exhibit distorted octahedra and distorted pentagonal bipyramids, respectively. A database of thermophysical properties of SrCl2–KCl–MgCl2 melts, including density, self-diffusion coefficient, viscosity, and ionic conductivity, was thus developed, covering the temperature range from 873 to 1173 K.

CAS / MDL: 7786-30-3 7447-40-7
研究领域: 材料科学 · 计算化学
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INORGANIC CHEMISTRY · 2025 · IF 4.7

Evaluation of NaCl-KCl-Al2S3 Molten Salts by Raman Spectroscopy and Quantum Chemical Calculations

Hongguang Kang,Xianwei Hu,Liang Tian,Jiangyu Yu,Aimin Liu,Zhongning Shi,Zhaowen Wang

The complex ions in NaCl-KCl-Al2S3 molten salts at temperatures of 923–1003 K were investigated via Raman spectroscopy and quantum chemistry calculations. The results showed the presence of Al2S3Cl–, AlSCl32–, and AlSCl2– in the molten salts. Besides that, there are two types of dissolution reactions for Al2S3: one is the reaction with Cl–, generating AlSCl32– and AlSCl2–, and the other is the reaction with Cl–, forming Al2S3Cl–. Once the temperature increases, the reaction between Al2S3Cl– and Cl– occurs, promoting the formation of AlSCl32– and AlSCl2–. Meanwhile, the reaction between AlSCl2– and Cl– occurs with the formation of AlSCl32–. With the increase in Al2S3 content, Al2S3 participates in the reaction with Cl–, producing Al2S3Cl–, which also leads to the formation of AlSCl2– and AlSCl32–. Meanwhile, the reaction of Al2S3Cl– with Cl– results in the generation of AlSCl32– and AlSCl2–. The non-bridging S atom in Al2S3Cl– and the S atoms in AlSCl32– and AlSCl2– are the easiest to be attacked by electrophilic molecules. In turn, the Al atom bonded to one Cl atom and two S atoms in Al2S3Cl– and the Al atoms in AlSCl32– and AlSCl2– are the primary sites reacting with nucleophilic molecules.

CAS / MDL: 7447-40-7 7647-14-5
研究领域: 物理化学 · 材料科学 · 光谱学 · 无机化学
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JOURNAL OF THE ELECTROCHEMICAL SOCIETY · 2020 ·Vol. 167 ·期 14 ·146508 · IF 3.721

Thermodynamic and Kinetic Properties of Mg(II) in LiCl-KCl Melt and the Formation of Zn-Mg Alloy on Liquid Zn Electrode

Shaolong Li,Yusi Che,Jianxun Song,Yongchun Shu,Jilin He,Baoqiang Xu,Bin Yang

Thermodynamic and kinetic properties of Mg(II) in LiCl-KCl eutectic melt were investigated by electrochemical techniques. The diffusion coefficients of Mg(II) in the melt at various temperatures were studied by cyclic voltammetry, and the activation energy of Mg(II)/Mg was calculated to be (48.5 ± 3.7) kJ mol−1. The exchange current densities and reaction rate constants of Mg(II)/Mg at different temperatures from 773 K to 873 K were calculated by testing polarization curves on Mo electrode, and results showed that the exchange current densities became larger as the temperature increased. Equilibrium potentials of Mg(II)/Mg on Mo electrode and liquid Zn electrode were also tested by open circuit potential method. Subsequently, the apparent standard potential of Mg(II)/Mg, apparent standard Gibbs energy for the formation of MgCl2 and activity coefficients of Mg in the liquid Zn were calculated. Finally, metallic Mg was extracted in the form of Zn-Mg alloys by galvanostatic electrolysis on liquid Zn electrode. The deposit was analyzed by X-ray diffraction, scanning electron microscopy coupled with energy dispersive X-ray spectroscopy, and Mg2Zn11 was detected in the deposit.

研究领域: 冶金学 · 电化学
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CERAMICS INTERNATIONAL · 2022 · IF 5.532

KCl–LiCl molten salt synthesis of LaOCl/CeO2-g-C3N4 with excellent photocatalytic-adsorbed removal performance for organic dye pollutant

Zhiyao Chu,Junqi Li,Yuan-Pei Lan,Chaoyi Chen,Jian Yang,Deyang Ning,Xuewen Xia,Xisong Mao

A ternary photocatalyst of LaOCl/CeO 2 -g-C 3 N 4 was designed and firstly synthesized by a facile KCl–LiCl molten salt method. The 60 %LaOCl/40 %CeO 2 -g-C 3 N 4 with a 6: 4 weight ratio of LaOCl to CeO 2 has an optimal degradation ratio (nearly 100%) for methylene blue (MB) with an impressive cyclic stability. Both of adsorption and photodegradation contribute to the high MB removal ratio, and kinetic study results show that the rate constant of photocatalytic degradation route is 0.0174 min −1 , which is less than that of adsorption process (2.4406 min −1 ). The excellent adsorption performance of 60 %LaOCl/40 %CeO 2 -g-C 3 N 4 is attributed to its negative zeta potential (−35.40 mV) and larger average pore size. The photochemical characterizations suggest that the 60 %LaOCl/40 %CeO 2 -g-C 3 N 4 form a dual Z-scheme heterojunction , which enhances its separation efficiency of photogenerated e - / h + with an outstanding redox ability, and further promotes the photocatalytic activity.

研究领域: 材料科学 · 环境科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Experimental Investigation and Thermodynamic Modeling of Solid–Liquid Equilibria in the Ternary System KCl–CsCl–H2O to High Concentrations from 273.15 to 348.15 K

Jinqiu Ma,Ziquan Wang,Dan Li,Lingzong Meng,Yafei Guo,Tianlong Deng,Shuaiqi Sun,Yong Ma

The solubilities in the ternary system KCl–CsCl–H2O at 348.15 K were studied with the isothermal dissolution equilibrium method. The phase diagram of the system at 348.15 K is composed of one invariant point, two unvariant curves, and two single-salt crystallizations for KCl and CsCl. A comparison of the diagrams of the system KCl–CsCl–H2O from 298.15 to 348.15 K shows that the solid solution forms at 298.15 K and disappears at 323.15 and 348.15 K. Combining Pitzer binary parameters of KCl and CsCl obtained from the literature and solubility data in the system CsCl–H2O, the temperature dependence equations for Pitzer mixing parameters (θK,Cs and φK,Cs,Cl) and dissolution equilibrium constants of CsCl were built on the basis of the Pitzer model. The model for the mixed system provides reasonable mineral solubility from 273.15 to 348.15 K. The assumption of no solid solution existence in the ternary system can be applied in parameter fitting and solubility calculation. The results on the phase diagrams and thermodynamic model of the system KCl–CsCl–H2O can supply basic thermodynamic data and theoretical references for CsCl separation from the brine containing KCl.

研究领域: 化学热力学 · 无机化学
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SOLAR ENERGY MATERIALS AND SOLAR CELLS · 2020 · IF 6.984

Unrevealing the thermophysical properties and microstructural evolution of MgCl2–NaCl–KCl eutectic: FPMD simulations and experimental measurements

Xuejiao Li,Na Li,Weihua Liu,Zhongfeng Tang,Jianqiang Wang

The first principle molecular dynamics (FPMD) simulations in combination with experimental measurements are applied to investigate the thermophysical properties and structural evolution of MgCl 2 –NaCl–KCl (MNK) eutectic . The densities, melting point, and enthalpy of fusion simulated by FPMD within NPT ensemble are consistent with experimental results. Besides, the thermal conductivity of molten MNK eutectic evaluated from FPMD simulations with NVT ensemble gives satisfactory result. Furthermore, the shear viscosities of MNK eutectic are deduced based on ion self-diffusion coefficients and solvodynamic radius, similar to the data estimated by additive contribution method. Eventually, the change rules of radial and angular distribution functions and structural factor of MNK eutectic during melting are revealed, and the melting mechanism is proposed from the evolution of polyhedral coordination structures. These results are heuristic in structure-activity relationship of MNK eutectic, which sheds insight for further development of efficient heat transfer and storage media through microstructure engineering.

CAS / MDL: 7786-30-3
研究领域: 材料科学 · 热物理
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CARBON · 2025 · IF 11.6

Phthalonitrile-derived hierarchical porous carbon through synergistic KOH/KCl activation for high-performance supercapacitor electrodes

Yi Li,Qiancheng Liu,Peng Zhao,Qian Zhang,Zhongxiang Bai,Xiaoxiao Li,Yang Yang,Pan Wang,Kui Li,Ying Li,Xulin Yang

Hierarchical porous carbon (HPC) materials hold immense promise for advancing high-performance supercapacitors. However, the development of straightforward and sustainable synthetic routes remains a formidable challenge. This work employs a facile strategy combining low-temperature carbonization with the synergistic effects of chemical activation and salt templating, utilizing phthalonitrile monomer (RPH) as precursors to synthesize N-enriched hierarchical porous carbon. The optimized RKC-1 sample features an advantageous pore size distribution, a large specific surface area of 2079 m 2 g -1 , a N-doping loading of 1.86 %, and a moderate degree of graphitization. The RKC-1 electrode demonstrates a notable level of specific capacitance of 394 F g -1 at 1 A g -1 . Notably, in a two-electrode system at 5 A g -1 , after undergoing 10,000 cycles, the RKC-1 electrode maintains a capacitance retention rate of 80.34 % and achieves a Coulombic efficiency of 99.24 %. These results underscore that the synthesized RPH-based porous carbon demonstrates promising potential for practical applications in advanced energy storage systems.

研究领域: 储能 · 材料科学 · 化学工程 · 电化学
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FOOD MICROBIOLOGY · 2020 · IF 4.155

Effects of partial replacement of NaCl with KCl on bacterial communities and physicochemical characteristics of typical Chinese bacon

Xiao Gan,Ling Zhao,Jungang Li,Juncai Tu,Zhaoming Wang

This work aimed to determine the effects of partial substitution of NaCl with 0% (control), 30%, 50%, and 70% of KCl on the bacterial communities, proteolysis and lipid oxidation of Chinese bacon during processing. The proportion of genus Lactobacillus increased from 22.45% (fresh meat) to 72.78%, 81.64%, 76.53% and 85.63% at the end of processing for 0%, 30%, 50% and 70% KCl replacement samples, respectively. During the processing, Lactobacillus gradually became the dominant one, and higher the KCl ratio, more rapid was the process. After salting, the TBARS of control was markedly higher (P < 0.05) than that of the others, while a similar lipid oxidation level (P > 0.05) was observed at the end of processing for different groups. After salting, there was no difference in total free amino acids (TFAA) content among four treatments (P > 0.05), whereas KCl replacement samples shared significantly higher (P < 0.05) values than control at the end of processing. Redundancy analysis and Pearson correlation showed positive correlation between Lactobacillus versus TBARS and TFAA. Partial replacement of NaCl with KCl could, directly or subsequently by promoting the growth of Lactobacillus, influence proteolysis and lipid oxidation over the manufacturing process.

研究领域: 食品科学 · 微生物学 · 化学
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JOURNAL OF NANOPARTICLE RESEARCH · 2021 ·Vol. 23 ·期 3 ·1-12 · IF 2.253

Characterizations and photocatalytic activity of ceria nanoparticles synthesized in KCl–LiCl/KOH–NaOH molten flux from different precursors

Mao Xisong,Xia Xuewen,Ning Deyang,Li Junqi,Chen Chaoyi,Lan Yuan-Pei

Molten salts synthesis (MSS) is a simple and potential technique for ceria nanoparticles (NPs) production, but the relevant effects of salt medium and cerium precursor on the synthesized ceria NPs need further attention. In the present work, we investigated the influences of frequently employed KCl–LiCl and KOH–NaOH molten flux and typical inorganic cerium precursors on the characterizations and photocatalytic property of ceria NPs. Results show that the CeO 2 NPs obtained in molten KOH–NaOH flux have smaller particle/crystal sizes but more serious agglomeration than that from KCl–LiCl flux. UV–Vis DRS spectra reveal that the ceria synthesized in molten hydroxides from the cerium nitrate precursor has the narrowest band gap of 2.87 eV in studied ceria samples. The ceria NPs obtained from KCl–LiCl flux have wider band gaps of 3.15–3.29 eV and faster recombination rates of photo-generated e − and h + . It was found that the ceria NPs obtained in molten KCl–LiCl salt show better photocatalytic activities for methylene blue (MB) degradation and may be due to the uniform size distribution and well-dispersed particles.

研究领域: 材料科学 · 化学 · 纳米技术
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