JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Jingli Sun,Yujie Zhen,Siyu Zheng,Lei Chen,Kebin Huang,Yingmin Yu
Abstract To investigate salt-type and salt-concentration effects on pyridine extraction performance, liquid–liquid equilibrium data for the aqueous pyridine +2-ethyl-1-hexanol system with KCl or CaCl2 were measured at 298.15 K and 101.3 kPa. Aqueous phases containing 5 and 10 wt % KCl and CaCl2 were systematically studied. Experimental results show that both inorganic salts expand the two-phase region, promote pyridine partitioning into the rich-organic phase, and enhance separation efficiency. The pyridine distribution coefficient and separation factor generally increase with the salt concentration. Relative to the salt-free system, the average separation factor rises by approximately 42.01% and 111.10% for 5 and 10 wt % KCl, respectively, and by 19.17% and 74.27% for the corresponding CaCl2 concentrations, respectively. Experimental LLE data were correlated using NRTL and UNIQUAC activity coefficient models, with RMSD below 1.02%. Thermodynamic consistency tests and Gibbs stability criteria further validate the reliability of the regressed model parameters. This work provides credible LLE data sets and thermodynamic model parameters for the design and optimization of pyridine extraction and separation processes in saline aqueous systems.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yifan Li,Sifan Wang,Jiangbo Chen,Huan Zhou
Boron-containing brines are widely distributed in nature, and within the pH range of salt lakes, B4O72– is one of the primary boron forms. To express the brine properties and phase equilibrium behavior of boron-containing brine systems, experiments and thermodynamic research based on the eNRTL framework were carried out. Tetraborate aqueous systems are focused in this study: (1) the phase diagram data of K2B4O7–K2SO4–H2O and K2B4O7–K2SO4–KCl–H2O systems at 298.15 and 323.15 K were experimentally determined; (2) the heat capacity of the B4O72– ion was determined via simultaneously fitting the thermodynamic property and solubility data of Li2B4O7, Na2B4O7 and K2B4O7 aqueous systems; (3) the liquid parameters (interaction parameters between water–ionic pair and ionic pair–ionic pair) and solid parameters (ΔfGk°, ΔfHk°, ΔCp,k°) for three binary systems (Li2B4O7–H2O, Na2B4O7–H2O, K2B4O7–H2O) and two ternary systems (K2B4O7–K2SO4–H2O, K2B4O7–KCl–H2O) were determined by fitting the multitemperature phase diagram data; and (4) the complete structures of the phase diagram for the ternary and quaternary systems were predicted. The results demonstrate that (1) the models can effectively describe the solution properties and solid–liquid phase equilibrium behavior of tetraborate-containing aqueous systems, (2) the parameters exhibit thermodynamic consistency, and (3) the predicted complete phase diagram is reasonable.
研究领域:
化学
·
地球科学
·
环境科学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·Vol. 71
·期 9
·3749-3760
·
IF 2.4
Zhuang Ziyu,Zhang Manman,Li Dongdong,Gao Dandan,Feng Haitao
The phase equilibria of ternary systems
phenylboronic
acid (C 6 H 5 B(OH) 2 ) + KCl/RbCl/CsCl
+ H 2 O were investigated at 298.15 and 348.15 K using
a direct
isothermal dissolution equilibrium method with mannitol-NaOH titration.
Solid phases were characterized by Schreinemakers’ wet method,
XRD, Raman, IR, and TG-DSC. No new adducts were detected, in contrast
to the stable adduct 2H 3 BO 3 ·3CsCl formed
in the H 3 BO 3 + CsCl + H 2 O system.
All three systems are of the simple eutectic type, with two solubility
branches and one invariant point. C 6 H 5 B(OH) 2 exerts a weak salting-in effect on the chlorides, independent
of temperature. Conversely, the chlorides salt out C 6 H 5 B(OH) 2 following the order CsCl < RbCl < KCl,
an effect that increases with temperature. This pattern differs from
H 3 BO 3 -alkali chloride systems (salting-in) but
resembles H 3 BO 3 -alkaline earth chloride systems
(salting-out). The salting-out is attributed to salt-induced reduction
of water activity, which disrupts the hydration layer of the solute
and promotes its dehydration condensation to triphenyl boroxine. From
a crystallographic viewpoint, the layered structure of H 3 BO 3 provides suitable sites for Cs + , whereas
the three-dimensional network of C 6 H 5 B(OH) 2 does not. This structural insight suggests that the layered
1,4- and 1,3-benzenediboronic acids may form similar adducts with
Cs + , warranting further investigation.
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高影响因子
APPLIED THERMAL ENGINEERING
·
2025
·
IF 6.9
Fei Liang,Shaobo Xi,Jing Ding,Jianfeng Lu,Duu-Jong Lee,Shule Liu
The Gen 3 concentrating solar power (CSP) system, featuring a high-temperature molten chloride salt reheating device, can continuously generate electricity with high efficiency. Adding nanoparticles to molten salts can improve the suspension’s thermal conductivity and heat capacity. However, nanoparticle agglomeration can impair heat transfer and storage performance, potentially leading to device failure. This study employed molecular dynamics (MD) simulations with machine learning (ML) potentials to explore the enhancement mechanism of SiO 2 nanoparticles on the thermal properties of a molten LiCl-KCl eutectic. Specific heat capacity and suspension density were monitored and compared with experiments, considering molten salt temperature, nanoparticle sizes, and loadings as control variables. Adding 13–28 Å SiO 2 at 1–6% w/w increased the specific heat capacity of the molten eutectic. Interfacial adsorption of molten salt ions onto the nanoparticles created a unique microstructure, preventing particle agglomeration and enhancing inter-particle heat transport rates. While the specific surface area of nanoparticles is a primary factor in determining thermal performance, its impact diminishes with smaller nanoparticles due to agglomeration. Detailed comparisons of ion distributions around the nanoparticles revealed that strong interfacial adsorption of Li + primarily regulates the electrical field near the interface, leading to excess surface adsorption and increased heat capacity. The molecular configurations for LiCl-KCl nanofluids were detailed and presented for the first time to suggest practical ways to enhance their heat storage performance. Strategies to minimize particle agglomeration in the molten LiCl-KCl eutectic are discussed based on the study’s conclusions.
研究领域:
材料科学
·
热工工程
·
可再生能源
·
计算化学
·
纳米技术
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高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2017
·Vol. 46
·期 9
·1871-1902
·
IF 1.342
Li Dongdong,Gao Dandan,Zeng Dewen,Li Wu
The solid solution–aqueous solution (SSAS) equilibria in the KCl + RbCl + H 2 O system were redetermined at 298.15 K. The experimental data for (K,Rb)Cl were consistent with the formation of a continuous solid solution without miscibility gaps. The Schreinemakers’ wet residues method and an XRD quantitative analysis technique based on the Vegard approach were applied to determine the chemical composition of the solid solution phase of (K,Rb)Cl. The compositions of (K,Rb)Cl derived from the Vegard approach are in accordance with those from the wet residues method. The thermodynamic properties of mixing of the (K,Rb)Cl solid solution were theoretically predicted using atomistic simulations. From these simulations, a regular solution behavior is recognized that is consistent with the knowledge of the thermodynamic properties of mixing of (K,Rb)Cl obtained from SSAS equilibrium studies, but the predicted regular solution model parameter A
0 is significantly larger than that regressed from the SSAS equilibrium data. Finally, a thermodynamic model was developed for representing the SSAS equilibria and element partitioning in the KCl + RbCl + H 2 O system as a function of temperature that can be used for predicting the SSAS equilibria in the studied system over the temperature range 273.15–373.15 K.
研究领域:
化学
·
材料科学
·
物理化学
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IONICS
·
2020
·Vol. 26
·期 8
·3901-3909
·
IF 2.394
Li Mei,Sun Zhongxuan,Guo Dan,Han Wei,Sun Yang,Yang Xiaoguang,Zhang Milin
The electrode reaction of Pr(III) and coreduction of Pb(II) and Pr(III) were studied on an inert W electrode in eutectic LiCl-KCl to extract Pr from molten salt. The electrode process kinetic of Pr(III) on W electrode was firstly explored employing cyclic voltammetry (CV) and Tafel technique, such as the diffusion coefficient of Pr(III) in eutectic LiCl-KCl and the exchange current density ( j 0 ) for Pr(III)/Pr(0) couple and the electrode reaction activation energy. Then, various electrochemical techniques were used to investigate the coreduction of Pb(II) and Pr(III). Four cathode current peaks ascribed to the formation of Pr x Pb y intermetallic compounds were detected, which indicated that the Pr could deposit on pre-deposited Pb film, react with Pb, and form Pr x Pb y intermetallic compounds. Furthermore, the electrolytic products formed by galvanostatic electrolysis were characterized by scanning electron microscopy coupled with energy dispersive X-ray diffraction, which illustrated the formation of PrPb 3 intermetallic compound in LiCl-KCl-PbCl 2 -PrCl 3 melt.
研究领域:
化学
·
材料科学
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高影响因子
Journal of Materials Research and Technology-JMR&T
·
2023
·
IF 6.4
Sijie Liu,Renda Wang,Li Wang,Fangfang Ge,Mengyu Gao,Yang Si,Bingsheng Li
In this work, static immersion and gravimetric methods were used to study the corrosion behavior of three common stainless steels and four Ni-based alloys in a NaCl–MgCl 2 –KCl mixed molten salt under vacuum atmosphere. The corrosion test was conducted at 700 °C, with a maximum exposure time of 100 h. Corrosion behavior was determined by measuring the mass loss of the sample at different time intervals and the corrosion rates at 100 h. The microstructure of the alloy was analyzed by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), atomic force microscope (AFM), and X-ray diffraction (XRD). The results showed that stainless steels were generally more severely corroded than Ni-based alloys. 304 stainless steel and In800H exhibited the worst corrosion resistance, whereas Ni-based alloy In625 had the best corrosion resistance. Fe and Cr were dissolved in the molten chloride salts and reacted with the molten chloride salts. Mo played a positive role in suppressing the corrosion of the alloys in molten chloride salts by inhibiting the outward diffusion of the elements.
研究领域:
材料科学
·
化学工程
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高影响因子
Biochar
·
2023
·Vol. 5
·期 1
·1-18
·
IF 12.7
Wang Shulian,Huang Yan,Ma Shuanglong,Zhan Sihui,Wang Jingzhen,Gao Boqiang,Tang Xiaodan,Zhu Qiuhui,Xu Shengjun,Zhuang Xuliang
Metal-free porous biochars are popularly utilized as catalysts for peroxydisulfate (PDS) activation. The enhancement effect of PDS activation of porous biochars fabricated by employing both hard template and alkali metal activating agent has not been explored completely. In addition, the role of the inherent carbon defect in PDS activation has not been clearly elucidated. Hence, a series of carbonaceous catalysts were fabricated using a sole template (KCl), a sole activating agent (Na 2 S 2 O 3 ) or a combination of template and activating agent (KCl/Na 2 S 2 O 3 , KCl/KHCO 3 , KCl/NaHCO 3 , and KCl/Na 2 C 2 O 4 ), to systematically investigate the effect of specific surface area (SSA) and intrinsic defect of porous biochar on its PDS activation ability. The biochar synthesized by KCl and Na 2 S 2 O 3 (SK-C) exhibited the optimum degradation performance. The SK-C was found to possess an interconnected hollow cage with three-dimensional mesh structure showing the largest surface area, pore volume and C- sp 3 edge defect content among all the catalysts, which explained its paramount catalytic ability. The SSA and C- sp 3 content together can determine the catalytic performance in a quantitative relationship. The single electron transfer pathway from SDZ to inner-sphere bound SK-C/PDS* was the protagonist of pollutant oxidation. The degradation intermediates were detected and recognized and their toxicities were evaluated. This study for the first time comprehensively identified the synergistic effect between the SSA and inherent defects on improving the catalytic performance of biochar for PDS activation to removal contaminants. Graphical Abstract
研究领域:
环境科学
·
材料科学
·
化学工程
·
水处理
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高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2020
·
IF 3.807
Kewei Jiang,Yawei Shao,Valeri Smolenski,Alena Novoselova,Qi Liu,Minghui Xu,Yongde Yan,Jing Yu,Milin Zhang,Jun Wang
The electrode reactions of the Ce 3+ /Ce couple in molten LiCl–KCl eutectic in the temperature range 723–823 K on solid Mo electrodes were investigated by electrochemical techniques . The mechanism of deposition of metallic cerium has been established. It was found that the cathode reaction is irreversible and proceeds in one stage. The apparent standard Gibbs energy of CeCl 3 formation from the elements was calculated. The values of enthalpy and entropy were equal: ΔH* = − 1000.2 kJ/mol, ΔS* = 166.0 J/mol·K. The conditions of high-purity cerium production have been studied. The chemical structure of cathode deposits as well as the surfaces of the crucible were investigated by XRD , ICP and SEM-EDS methods. It was established that the best results for purification of the cathode product from impurities were achieved in the range 40–60 mA/cm 2 using a two-stage electrolysis. The amounts of the main impurities in the final product were 0.005 wt% Al, 0.0021 wt% Fe, and 0.003 wt% Si. The total purity of metallic cerium after cleaning was increased up to 99.971 wt% if a vitreous carbon crucible was used.
研究领域:
冶金学
·
电化学
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高影响因子
APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Jiahao Wei,Gonggang Sun,Zheng Hong,Qi Wang,Xinbao Li
Catalysts for NH 3 selective catalytic reduction (NH 3 -SCR) suffer from severe alkali metal poisoning, particularly by potassium (K). In this study, a series of K-resistant zirconium phosphate supported CeO 2 -SnO 2 catalysts (CeSn/ZrPs) were prepared by a hydrothermal-impregnation method and the simulated poisoning process with K loading amounts ranging from 1 wt% to 10 wt% was achieved by impregnating the catalysts with a KCl solution. The catalyst that contained 20 wt% Ce and 1 wt% Sn exhibited excellent SCR activity and K-poisoning resistance. The NO conversion over the CeSn/ZrP catalyst achieved 91.6% at 350 °C after 5 wt% K poisoning, and even retained 80.2% when the K content was increased to 8 wt%. The resistance mechanism of CeSn/ZrP against K-poisoning was studied by a series of characterizations. The results demonstrate that CeSn/ZrP exhibits a high surface area, strong acidity and enhanced redox properties due to Sn doping. The abundant Brønsted acid sites provided by the zirconium phosphate support played a crucial role in resisting K poisoning. In-situ DRIFTS revealed that KCl poisoning primarily suppresses the SCR reaction by occupying acid sites and reducing NH3 adsorption. The abundant acid sites of CeSn/ZrP can ensure that the catalyst retains a certain NH 3 adsorption capacity under high KCl loading.
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高影响因子
Nanomaterials
·
2025
·Vol. 15
·期 20
·1602
·
IF 4.3
Min Li,Zhaodong Peng,Xin Yao,Jie Huang,Dawei Zhang
Wide-bandgap (WBG) perovskite solar cells (PSCs) are critical for high-efficiency tandem photovoltaic devices, but their practical application is severely limited by phase separation and poor film quality. To address these challenges, this study proposes a dual-additive passivation strategy using potassium thiocyanate (KSCN) and potassium chloride (KCl) to synergistically optimize the crystallinity and defect state of WBG perovskite films. The selection of KSCN/KCl is based on their complementary functionalities: K+ions occupy lattice vacancies to suppress ion migration, Cl−ions promote oriented crystal growth, and SCN−ions passivate surface defects via Lewis acid-base interactions. A series of KSCN/KCl concentrations (relative to Pb) were tested, and the effects of dual additives on film properties and device performance were systematically characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), photoluminescence (PL), space-charge-limited current (SCLC), current-voltage (J-V), and external quantum efficiency (EQE) measurements. Results show that the dual additives significantly enhance film crystallinity (average grain size increased by 27.0% vs. control), reduce surface roughness (from 86.50 nm to 24.06 nm), and passivate defects-suppressing non-radiative recombination and increasing electrical conductivity. For WBG PSCs, the champion device with KSCN (0.5 mol%) + KCl (1 mol%) exhibits a power conversion efficiency (PCE) of 16.85%, representing a 19.4% improvement over the control (14.11%), along with enhanced open-circuit voltage (Voc: +2.8%), short-circuit current density (Jsc: +6.7%), and fill factor (FF: +8.9%). Maximum power point (MPP) tracking confirms superior operational stability under illumination. This dual-inorganic-additive strategy provides a generalizable approach for the rational design of stable, high-efficiency WBG perovskite films.
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PubMed
高影响因子
ACS Sustainable Chemistry & Engineering
·
2025
·
IF 7.3
Changzu Zhu,Tao Jiang,Shilin Jiang,Xinyu Zhang,Ming Cheng,Wentao Zhou,Wei-qun Shi,Yafei Wang
Electrochemical separation of spent fuel utilizing molten salt as a medium is an efficient approach to achieve the sustainable development of nuclear energy. The Lewis acidity and basicity of molten salts are closely related to the local structure of the molten salt and significantly influence its properties. In this study, the acidity–basicity scales of LiCl–KCl–CsCl–LaCl3 molten salts have been quantitatively determined using in situ UV–vis spectrophotometry with Tl+ probes, and the relationship between the acidity–basicity scale and temperature was deduced. The influence of molten salt’s acidity–basicity scale on its structural evolution was investigated through Deep Potential Molecular Dynamics (DPMD) simulations and in situ Raman spectroscopy. As the acidity–basicity scale of molten salt increases, the short-range ordering of the melt diminishes, and the intermediate-range ordering enhances. Moreover, based on the accumulation of data at various temperatures, the relationships between the temperature-dependent acidity–basicity scale and the thermal transport properties were derived. The reduction potential of La was analyzed through electrochemical tests to evaluate the corrosiveness of the salt melt, and it was found that molten salt with a higher acidity–basicity scale exhibited greater corrosivity. This study elucidates the correlation of the acidity–basicity scale with salt structure and properties, providing an effective method for comprehensive assessment and real-time monitoring of salt structure and properties through the direct measurement of the salt acidity–basicity scale.
研究领域:
核能化学
·
材料科学
·
电化学
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高影响因子
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