• Title/Summary/Keyword: Electrochemical modeling

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Measurements and Modeling of the Activity Coefficients and Solubilities of L-alanine in Aqueous Electrolyte Solutions (전해질 수용액에서 L-Alanine의 활동도계수와 용해도의 측정 및 모델링)

  • Lee, Bong-Seop;Kim, Ki-Chang
    • Korean Chemical Engineering Research
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    • v.48 no.4
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    • pp.519-533
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    • 2010
  • Activity oefficients and solubilities of L-Alanine in aqueous solutions containing each of four electrolytes(NaCl, KCl, $NaNO_3$ and $KNO_3$) were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes(cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of L-alanine. To model the activity coefficients and solubilities of amino acid in the amino acid/electrolyte aqueous solutions, thermodynamic relations of the residual Helmholtz free energy in the amino acid/electrolyte aqueous solutions were developed based on the perturbed-chain statistical associating fluid theory(PC-SAFT) combined with the primitive mean spherical approximation(primitive-MSA). In the present model, it is assumed that the zwitterions of L-alanine are associated with each other and cross-associated with water molecules, and also cross-associated with the cation and anion dissociated from an electrolyte(inorganic salt). The activity coefficients and solubilities of L-Alanine calculated from the theoretical model proposed in this work are found to be well agreeable with experimental data.

Modeling, Preparation, and Elemental Doping of Li7La3Zr2O12 Garnet-Type Solid Electrolytes: A Review

  • Cao, Shiyu;Song, Shangbin;Xiang, Xing;Hu, Qing;Zhang, Chi;Xia, Ziwen;Xu, Yinghui;Zha, Wenping;Li, Junyang;Gonzale, Paulina Mercedes;Han, Young-Hwan;Chen, Fei
    • Journal of the Korean Ceramic Society
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    • v.56 no.2
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    • pp.111-129
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    • 2019
  • Recently, all-solid-state batteries (ASSBs) have attracted increasing interest owing to their higher energy density and safety. As the core material of ASSBs, the characteristics of the solid electrolyte largely determine the performance of the battery. Thus far, a variety of inorganic solid electrolytes have been studied, including the NASICON-type, LISICON-type, perovskite-type, garnet-type, glassy solid electrolyte, and so on. The garnet Li7La3Zr2O12 (LLZO) solid electrolyte is one of the most promising candidates because of its excellent comprehensively electrochemical performance. Both, experiments and theoretical calculations, show that cubic LLZO has high room-temperature ionic conductivity and good chemical stability while contacting with the lithium anode and most of the cathode materials. In this paper, the crystal structure, Li-ion transport mechanism, preparation method, and element doping of LLZO are introduced in detail based on the research progress in recent years. Then, the development prospects and challenges of LLZO as applied to ASSBs are discussed.