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Title of Journal: J Solution Chem

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Abbravation: Journal of Solution Chemistry

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Kluwer Academic Publishers-Plenum Publishers

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DOI

10.1007/bf01464795

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1572-8927

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LiSuperscriptEmphasis Type="Bold"+/Emphasis

Authors: Oleg Borodin G D Smith
Publish Date: 2007/04/27
Volume: 36, Issue: 6, Pages: 803-813
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Abstract

Molecular dynamics simulations have been performed on oligoethylene oxides of various molecular weights doped with the lithium bistrifluoromethanesulfonylimide salt LiTFSI in order to explore the mechanism of Li+ transport in materials covering the range from liquid electrolytes to prototypes for high molecular weight polyethylene oxidebased polymer electrolytes Good agreement between MD simulations and experiments is observed for the conductivity of electrolytes as a function of molecular weight Unlike Li+ transport in liquid ethylene carbonate EC that comes from approximately equal contributions of vehicular Li+ motion motion together with solvent and Li+ diffusion by solvent exchange Li+ transport in oligoethers was found to occur predominantly by vehicular motion The slow solvent exchange of Li+ in oligoethylene oxides highlights why high molecular weight amorphous polymer electrolytes with oligoethylene oxides solvating groups suffer from poor Li+ transport Ion complexation and correlation of cation and anion motion is examined for oligoethers and compared with that in EC

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Other Papers In This Journal:
  1. Ab Initio Molecular Dynamics Simulation of Infrared Absorption Spectra of H 3 O + and H 5 O 2 + in Nonaqueous Solutions of Trifluoromethanesulfonic Acid Hydrates
  2. Modified Screen-Printed Electrode for Potentiometric Determination of Copper(II) in Water Samples
  3. Inclusion Complexes of Cyclodextrins with Galangin: a Thermodynamic and Reactivity Study
  4. Determination of Activation Energy for the Diffusion of Fe 3+ Ions in Agar Gel Medium Containing Various Transition Metal Sulfates
  5. NMR Study of the Exchange Kinetics of 30-Crown-10 Complexes with Sr 2+ and Ba 2+ Cations and Crystal Structure of the 30-Crown-10 Complex with Barium Perchlorate
  6. A Study of the Excess Properties of Aliphatic Chlorinated Compounds with Benzylalcohol at Various Temperatures
  7. Liquid–Liquid Equilibria of the Methanol + Toluene + Methylcyclohexane Ternary System at 278.15, 283.15, 288.15, 293.15, 298.15 and 303.15 K
  8. Complexation of Am(III) and Nd(III) by 1,10-Phenanthroline-2,9-Dicarboxylic Acid
  9. Diffusion Coefficients for the Ternary System Water + Chloroform + Acetic Acid at 25 °C
  10. Binding Mechanism of Bioactive Cetirizine Hydrochloride to Sudlow’s Site I of Serum Albumins
  11. Electroluminescent Properties of LECs Based on Ionic Transition Metal Complexes Using Tetrazole-Based Ancillary Ligand
  12. High-Pressure Densities and Derived Volumetric Properties (Excess, Apparent and Partial Molar Volumes) of Binary Mixtures of Methanol + [BMIM][PF 6 ]
  13. Solvent Effects on the Protonation Constants of Some α -Amino Acid Esters in 1,4-Dioxane–Water Mixtures
  14. Lanthanide Complexes with Allyl Acetoacetate in Mixed Water–Organic Media: Formation, Stability and Bonding
  15. A Study on Host–Guest Complexation of 5-Amino-2-Mercaptobenzimidazole with β -Cyclodextrin
  16. The Mixing Enthalpy Interaction Coefficients of N , N ′-Hexamethylenebisacetamide with l -Alanine and l -Serine in Aqueous Glucose Solutions at 298.15 K
  17. Effect of Temperature on Salt–Salt Aqueous Biphasic Systems: Manifestations of Upper Critical Solution Temperature
  18. Studies on Intermolecular Interactions in Liquid Mixtures of Alkoxyalkanols and Branched Alcohols by Volumetric and Acoustic Measurements at Different Temperatures
  19. Thermodynamics of concentrated electrolyte mixtures. I. Activity coefficients in aqueous NaCl−CaCl 2 at 25°C
  20. Study of the Association Behavior Between Bromophenol Blue and Octylphenol Polyoxyethylene Ether (10) in Aqueous Solution and the Solubilization of Bromophenol Blue by Micelles
  21. Kinetics and Mechanism of the Reactions Between Triphenylphosphine, Dialkyl Acetylenedicarboxilates and a NH-Acid, Pyrazole, by UV Spectrophotometry
  22. Isopiestic Determination of the Osmotic and Activity Coefficients of Li 2 SO 4 (aq) at T =298.15 and 323.15 K, and Representation with an Extended Ion-Interaction (Pitzer) Model
  23. Volumetric and Transport Properties of Ternary Mixtures Containing 1-Butanol or 1-Pentanol, Triethylamine and Cyclohexane at 303.15 K: Experimental Data, Correlation and Prediction by the ERAS Model
  24. First Hydrolysis Constant of Lutetium (III) by Solvent Extraction
  25. Volumetric Properties of the Nucleoside Thymidine in Aqueous Solution at T = 298.15 K and p = (10 to 100) MPa
  26. Spinodal Composition of the System Water + Chloroform + Acetic Acid at 25 °C
  27. Complexation Studies of Pyridyl Sulfonamide Ligands for Sensing Zinc and Copper Ions
  28. A Thermodynamic Study on the Binding of Cobalt(II) and Iron(III) Ions with Bovine Carbonic Anhydrase II at Different Temperatures
  29. Solubility of Omeprazole Sulfide in Different Solvents at the Range of 280.35–319.65 K
  30. Chemical Equilibria Modeling of Calcium Phosphate Precipitation and Transformation in Simulated Physiological Solutions
  31. Isopiestic Determination of the Osmotic and Activity Coefficients of the { y Na 2 HPO 4 + (1 −  y )K 2 HPO 4 }(aq) System at T = 298.15 K
  32. Ionic Strength Effect on the Stability of the V(V) + IDA Complex
  33. Viscosities for Ionic Liquid Binary Mixtures with a Common Ion
  34. Kinetics and Mechanism for Hydrolysis of α -Amino Acid Esters in Mixed Ligand Complexes with Zn(II)–Nitrilo-tris(methyl phosphonic Acid)
  35. The Oxidation of Iron(II) with Oxygen in NaCl Brines
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