scholarly journals Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion

2016 ◽  
Vol 52 (20) ◽  
pp. 3962-3965 ◽  
Author(s):  
Gil Ryeong Lee ◽  
Hiroyoshi Ohtsu ◽  
Jinyoung Koo ◽  
Yumi Yakiyama ◽  
Moon Jeong Park ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Ion Pairs ◽  
Ammonium Salts ◽  
Structural Units ◽  
Ion Conductivities

Sodium and ammonium salts of a multi-interactive molecule possessed different main-structural units, which explains their ion conductivities and stabilities against water.

scholarly journals Investigation of Microscopic Structure and Ion Dynamics in Liquid Li(Na, K)EutecticCl Systems by Molecular Dynamics Simulation

2018 ◽  
Vol 8 (10) ◽  
pp. 1874 ◽  
Author(s):  
Jie Wu ◽  
Jia Wang ◽  
Haiou Ni ◽  
Guimin Lu ◽  
Jianguo Yu
Keyword(s):  
Molecular Dynamics ◽  
Ionic Conductivity ◽  
Shear Viscosity ◽  
Ion Pairs ◽  
Liquid Structure ◽  
Distribution Functions ◽  
Dynamics Simulation ◽  
Molten Chloride ◽  
Ion Clusters ◽  
Self Diffusion

Molten chloride salts are the main components in liquid metal batteries, high-temperature heat storage materials, heat transfer mediums, and metal electrolytes. In this paper, interest is centered on the influence of the LiCl component and temperature on the local structure and transport properties of the molten LiCl-NaCl-KCl system over the temperature range of 900 K to 1200 K. The liquid structure and properties have been studied across the full composition range by molecular dynamics (MD) simulation of a sufficient length to collect reliable values, such as the partial radial distribution function, angular distribution functions, coordination numbers distribution, density, self-diffusion coefficient, ionic conductivity, and shear viscosity. Densities obtained from simulations were underestimated by an average 5.7% of the experimental values. Shear viscosities and ionic conductivity were in good agreement with the experimental data. The association of all ion pairs (except for Li-Li and Cl-Cl) was weakened by an increasing LiCl concentration. Ion clusters were formed in liquids with increasing temperatures. The self-diffusion coefficients and ionic conductivity showed positive dependences on both LiCl concentration and temperature, however, the shear viscosity was the opposite. By analyzing the hydrodynamic radii of each ion and the coordination stability of cation-anion pairs, it was speculated that ion clusters could be the cation-anion coordinated structure and affected the macro properties.

Superionic conduction in a zirconium-formate molecular solid

2020 ◽  
Vol 8 (35) ◽  
pp. 17951-17955
Author(s):  
Mohammad Wahiduzzaman ◽  
Shyamapada Nandi ◽  
Vibhav Yadav ◽  
Kiran Taksande ◽  
Guillaume Maurin ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Ion Pairs ◽  
Superionic Conduction ◽  
Molecular Solid

The zirconium-formate molecular solid containing KCl ion pairs (ZF-3) exhibits optimum humidity-sensitive performance in terms of ionic conductivity.

A fluorophosphate glass–ceramic electrolyte with superior ionic conductivity and stability for Na-ion batteries

2015 ◽  
Vol 3 (34) ◽  
pp. 17558-17562 ◽  
Author(s):  
Yiwen Ni ◽  
Ruilin Zheng ◽  
Xiaowen Tan ◽  
Weiyan Yue ◽  
Peng Lv ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Glass Ceramic ◽  
Ion Conductivity ◽  
Conductive Phase ◽  
Ceramic Electrolyte ◽  
Ion Conductivities ◽  
Fluorophosphate Glass

A new fluorophosphate (Na2O + NaF)–TiO2–B2O3–P2O5–ZrF4 (NTBPZ) glass and glass–ceramic have Na-ion conductivities up to 7 × 10−9 S cm−1 and 3 × 10−5 S cm−1, respectively. Na-ion conductivity improves due to formation of conductive phase NaTi2(PO4)3.

Electrical conductivities of quaternary ammonium salts in acetone.: Part III. Ion-pair formation

1968 ◽  
Vol 46 (12) ◽  
pp. 2005-2011 ◽  
Author(s):  
W. A. Adams ◽  
K. J. Laidler
Keyword(s):  
Dissociation Constants ◽  
Ion Pairs ◽  
Ion Pair ◽  
Pair Formation ◽  
Quaternary Ammonium Salts ◽  
Acetone Solution ◽  
Ammonium Salts ◽  
Electrical Conductivities ◽  
Tetraethylammonium Iodide ◽  
Kbar Pressure

The ion-pair dissociation constants determined from a Shedlovsky analysis of conductivity (see Part I) were used to calculate the enthalpy, the internal energy at constant volume, the entropy, and the volume of dissociation of tetramethylammonium iodide, tetraethylammonium iodide, and tetra-n-propylammonium iodide ion pairs in acetone solution. The sign and magnitude of these parameters over the range of conditions investigated, temperature 25 to 55 °C and atmospheric to 1.1 kbar pressure, indicated that the free ions in acetone solution are extensively solvated and that, depending on the conditions, solvent-shared or solvent-separated ion pairs are formed.

Thermodynamic behaviour of some electrolytes in ethane-1,2-diol from −10 to +80 °C

1993 ◽  
Vol 71 (8) ◽  
pp. 1265-1272 ◽  
Author(s):  
Fulvio Corradini ◽  
Luigi Marcheselli ◽  
Lorenzo Tassi ◽  
Giuseppe Tosi ◽  
Salvatore Fanali
Keyword(s):  
Experimental Data ◽  
Dissociation Constant ◽  
Ion Pairs ◽  
Size Parameter ◽  
Equivalent Conductivity ◽  
Thermodynamic Behaviour ◽  
Informative Parameters ◽  
Ion Conductivities ◽  
Ion Size ◽  
Reference Electrolyte

Conductivities of the electrolytes NaBr, NaPi, HPi, NaBPh4, and Ph4PBr in ethane- 1,2-diol were determined in the −10 ≤ t ≤ +80 °C temperature range. The experimental data were analyzed by the Fuoss–Hsia equation, which provides further informative parameters such as the dissociation constant (K) of the ion pairs formed in solution, the limiting equivalent conductivity (Λ0), and the ion-size parameter (å). Thermodynamic behaviour of these electrolytes was derived from analysis of the K values. Single-ion conductivities were evaluated on the basis of the assumption of Ph4PBPh4 as reference electrolyte.

Magnitude and Directionality of Interaction in Ion Pairs of Ionic Liquids:  Relationship with Ionic Conductivity

2005 ◽  
Vol 109 (34) ◽  
pp. 16474-16481 ◽  
Author(s):  
Seiji Tsuzuki ◽  
Hiroyuki Tokuda ◽  
Kikuko Hayamizu ◽  
Masayoshi Watanabe
Keyword(s):  
Ionic Liquids ◽  
Ionic Conductivity ◽  
Ion Pairs
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