Electrolyte Solvation and Ionic Association III. Acetonitrile-Lithium Salt Mixtures-Transport Properties

被引：137

作者：

Seo, Daniel M. ^{[1
]}

Borodin, Oleg ^{[2
]}

Balogh, Daniel ^{[1
]}

O'Connell, Michael ^{[1
]}

Ly, Quang ^{[1
]}

Han, Sang-Don ^{[1
]}

Passerini, Stefano ^{[3
]}

Henderson, Wesley A. ^{[1
]}

机构：

[1] N Carolina State Univ, Ion Liquids & Electrolytes Energy Technol ILEET L, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA

[2] USA, Electrochem Branch, Sensor & Electron Devices Directorate, Res Lab, Adelphi, MD 20783 USA

[3] Univ Munster, Inst Phys Chem, MEET Battery Res Ctr, D-48149 Munster, Germany

来源：

JOURNAL OF THE ELECTROCHEMICAL SOCIETY | 2013年 / 160卷 / 08期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; PROTOPHOBIC APROTIC-SOLVENTS; POLARIZABLE FORCE-FIELDS; TRIPLE-ION; ETHYLENE CARBONATE; CONCENTRATION-DEPENDENCE; CONDUCTANCE EQUATION; QUADRUPOLE FORMATION; MODELING VISCOSITY; DIMETHYL CARBONATE;

D O I：

10.1149/2.018308jes

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Asystematic study of electrolytes has been conducted to explore howsolution structure dictates electrolyte properties. Specifically, the transport properties (viscosity, conductivity and molar conductivity) of acetonitrile-lithium salt mixtures, (AN)(n)-LiX, are reported for electrolytes with LiPF6, LiTFSI (i.e., LiN(SO2CF3)(2)), LiClO4, LiBF4 and LiCF3CO2. These salts have widely varying ion solvation/ionic association behavior which is directly reflected in the transport properties of the AN solutions. Information about the solution structure has been utilized, in concert with molecular dynamic (MD) simulations, to provide mechanistic explanations for the variability noted in the transport properties of the electrolyte mixtures. (C) 2013 The Electrochemical Society. All rights reserved.

引用

页码：A1061 / A1070

页数：10

共 55 条

[1] THE FUOSS-ONSAGER CONDUCTANCE EQUATION AT HIGH CONCENTRATIONS [J].