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JOURNAL OF SOLUTION CHEMISTRY · 2017 ·Vol. 46 ·期 9 ·1871-1902 · IF 1.342

Understanding the Solid Solution–Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling

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.

CAS / MDL: 7791-11-9
研究领域: 化学 · 材料科学 · 物理化学
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MICROPOROUS AND MESOPOROUS MATERIALS · 2022 · IF 5.876

Ordered sodium zeolite-templated carbon with high first discharge capacity for sodium battery application

Shuang Tan,Chunxu Wang,Yann Foucaud,Michael Badawi,Hailing Guo,Kun Sun,Ge Yang,Svetlana Mintova

A zeolite-templated carbon (ZTC) material was synthesized using a vapor phase impregnation method. This ZTC exhibited an outstandingly high specific surface area of 3100 m 2  g −1 along with a considerable total pore volume of 1.74 cm 3  g −1 . The properties of this ZTC were optimized by controlling the deposition process of the furfuryl alcohol, used as the carbon precursor, on the sodium-bearing zeolite Y template (FAU-type framework structure). The ZTC was then used as a negative electrode in a sodium battery setup. A high first discharge capacity of 1714 mAh·g −1 for the ZTC was obtained, of which 16% was reversible. In addition, atomistic simulations confirmed that a theoretical capacity of 552 mAh·g −1 for the ZTC containing six sodium ions per supercage was reasonably achieved. The new vapor phase impregnation method presented here and applied for the synthesis of ZTC using sodium-bearing zeolites is highly reproducible and scalable, paving the way for the development of future applications.

研究领域: 材料科学 · 能源存储技术
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