Mass and charge transport in cyclic carbonates: Implications for improved lithium ion battery electrolytes

Journal of Physical Chemistry B

Volumn 117, Issue 19, 2013, Pages 5963-5970

  Petrowsky, Matt ^a   Ismail, Mohd ^a   Glatzhofer, Daniel T ^a   Frech, Roger ^a  

^a UNIVERSITY OF OKLAHOMA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARBONATES; ELECTROLYTES; LITHIUM BATTERIES; ROOM AND PILLAR MINING;

APROTIC SOLVENTS; ARRHENIUS; CYCLIC CARBONATES; DIFFUSION ACTIVATION ENERGY; DIFFUSION DATA; INTERMOLECULAR INTERACTIONS; LITHIUM-ION BATTERY; LOWER VISCOSITIES;

CARBONATION;

EID: 84878037148     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp402220a     Document Type: Article

References (51)

1. Egolf, L. M.; Jurs, P. C. Prediction of Boiling Points of Organic Heterocyclic Compounds Using Regression and Neural Network Techniques J. Chem. Inf. Comput. Sci. 1993, 33, 616-625
2. Egolf, L. M.; Wessel, M. D.; Jurs, P. C. Prediction of Boiling Points and Critical Temperatures of Industrially Important Organic Compounds From Molecular Structure J. Chem. Inf. Comput. Sci. 1994, 34, 947-956
3. Longster, G. F.; Walker, E. E. Effect of Permanent Dipoles on the Cohesive Energy and Solvent Action of Some Highly Polar Substances Trans. Faraday Soc. 1953, 49, 228-233
4. Riddick, J. A.; Bunger, W. B.; Sakano, T. K. Organic Solvents. Physical Properties and Methods of Purification; John Wiley & Sons: New York, 1986.
5. Xu, K. Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries Chem. Rev. 2004, 104, 4303-4417
6. Nolker, K.; Roth, M. Modified UNIFAC Parameters for Mixtures with Isocyanates Chem. Eng. Sci. 1998, 53, 2395-2401
7. Partington, J. R.; Cowley, E. G. Dipole Moments of Ethyl and Phenyl Isocyanates Nature 1935, 135, 1038
8. Seward, R. P.; Vieira, E. C. The Dielectric Constants of Ethylene Carbonate and of Solutions of Ethylene Carbonate in Water, Methanol, Benzene and Propylene Carbonate J. Phys. Chem. 1958, 62, 127-128
9. Oster, G.; Kirkwood, J. G. The Influence of Hindered Molecular Rotation on the Dielectric Constants of Water, Alcohols, and Other Polar Liquids J. Chem. Phys. 1943, 11, 175-178
10. Onsager, L. Electric Moments of Molecules in Liquids J. Am. Chem. Soc. 1936, 58, 1486-1493
11. Simeral, L.; Amey, R. L. Dielectric Properties of Liquid Propylene Carbonate J. Phys. Chem. 1970, 74, 1443-1446
12. Payne, R.; Theodorou, I. E. Dielectric Properties and Relaxation in Ethylene Carbonate and Propylene Carbonate J. Phys. Chem. 1972, 76, 2892-2900
13. Wawrzyniak, G.; Warnke, Z.; Chmurzynski, L. A Spectroscopic Study of Intermolecular Interactions and of Ion-Solvent Interactions in Systems Containing Propylene Carbonate Spectrosc. Lett. 1993, 26, 103-111
14. Amey, R. L. The Extent of Association in Liquid Dimethyl Sulfoxide J. Phys. Chem. 1968, 72, 3358-3359
15. Fini, G.; Mirone, P.; Fortunato, B. Evidence for Short-Range Orientation Effects in Dipolar Aprotic Liquids from Vibrational Spectroscopy J. Chem. Soc., Faraday Trans. 2 1973, 69, 1243-1248
16. Fini, G.; Mirone, P. Short-Range Orientation Effects in Dipolar Aprotic Liquids. III. Intermolecular Coupling of Vibrations in Sulfoxides, Sulfones, Nitriles and Other Compounds Spectrochim. Acta 1976, 32A, 625-629
17. Bopege, D.; Petrowsky, M.; Johnson, M.; Frech, R. Mass and Ion Transport in Ketones and Ketone Electrolytes: Comparison with Acetate Systems J. Solution Chem. 2013, 42 (3) 584-591
18. Petrowsky, M.; Frech, R. Temperature Dependence of Ion Transport: the Compensated Arrhenius Equation J. Phys. Chem. B 2009, 113, 5996-6000
19. Petrowsky, M.; Fleshman, A.; Ismail, M.; Glatzhofer, D. T.; Bopege, D.; Frech, R. Molecular and System Parameters Governing Mass and Charge Transport in Polar Liquids and Electrolytes J. Phys. Chem. B 2012, 116, 10098-10105
20. Bopege, D.; Petrowsky, M.; Fleshman, A.; Frech, R.; Johnson, M. Temperature Dependence of Ion Transport in Dilute Tetrabutylammonium Triflate-Acetate Solutions and Self-Diffusion in Pure Acetate Liquids J. Phys. Chem. B 2012, 116, 71-76
21. Petrowsky, M.; Fleshman, A.; Bopege, D.; Frech, R. Ion Transport with Charge Protected and Non-Charge Protected Cations Using the Compensated Arrhenius Formalism. Part II. Relationship Between Ionic Conductivity and Diffusion J. Phys. Chem. B 2012, 116, 9303-9309
22. Petrowsky, M.; Frech, R. Application of the Compensated Arrhenius Formalism to Dielectric Relaxation J. Phys. Chem. B 2009, 113, 16118-16123
23. Petrowsky, M.; Frech, R. Application of the Compensated Arrhenius Formalism to Self-Diffusion: Implication for Ionic Conductivity and Dielectric Relaxation J. Phys. Chem. B 2010, 114, 8600-8605
24. Petrowsky, M.; Fleshman, A.; Frech, R. Ion Transport with Charge Protected and Non-Charge Protected Cations in Alcohol-Based Electrolytes Using the Compensated Arrhenius Formalism. Part I. Ionic Conductivity and the Static Dielectric Constant J. Phys. Chem. B 2012, 116, 5760-5765
25. Petrowsky, M.; Frech, R. Salt Concentration Dependence of the Compensated Arrhenius Equation for Alcohol-Based Electrolytes Electrochim. Acta 2010, 55, 1285-1288
26. Fleshman, A.; Petrowsky, M.; Jernigen, J.; Bokalawela, R.; Johnson, M.; Frech, R. Extending the Compensated Arrhenius Formalism to Concentrated Alcohol Electrolytes: Arrhenius vs. Non-Arrhenius Behavior Electrochim. Acta 2011, 57, 147-152
27. Agilent 16452A Liquid Test Fixture Operation and Service Manual; Agilent Technologies: Santa Clara, CA, 2000.
28. Rathbun, R. E.; Babb, A. L. Self-Diffusion in Liquids. III. Temperature Dependence in Pure Liquids J. Phys. Chem. 1961, 65, 1072-1074
29. Stejskal, E. O.; Tanner, J. E. Spin Diffusion Measurements: Spin Echoes in the Presence of a Time-Dependent Field Gradient J. Chem. Phys. 1965, 42, 288-292
30. Price, W. S. Pulsed-Field Gradient Nuclear Magnetic Resonance as a Tool for Studying Translational Diffusion: Part 1. Basic Theory Concepts Magn. Reson. 1997, 9, 299-336
31. 4/LiBr- Mediated Diastereoselective Dihydroxylation of Olefins: A Catalytic Approach to the Prevost-Woodward Reaction Org. Lett. 2005, 7, 5071-5074
32. Qi, C.; Ye, J.; Zeng, W.; Jiang, H. Polystyrene-Supported Amino Acids as Efficient Catalyst for Chemical Fixation of Carbon Dioxide Adv. Synth. Catal. 2010, 352, 1925-1933
33. Melendez, J.; North, M.; Pasquale, R. Synthesis of Cyclic Carbonates from Atmospheric Pressure Carbon Dioxide Using Exceptionally Active Aluminum(salen) Complexes as Catalysts Eur. J. Inorg. Chem. 2007, 21, 3323-3326
34. Davies, S. G.; Fletcher, A. M.; Kurosawa, W.; Lee, J. A.; Poce, G.; Roberts, P. M.; Thomson, J. E.; Williamson, D. M. One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates J. Org. Chem. 2010, 75, 7745-7756
35. Kempa, R.; Lee, W. H. The Dipole Moments of Some Cyclic Carbonates J. Chem. Soc. 1958, 1936-1938
36. 6 in Propylene Carbonate Solutions J. Phys. Chem. B 2000, 104, 5040-5044
37. Ue, M. Mobility and Ionic Association of Lithium and Quaternary Ammonium Salts in Propylene Carbonate and γ-Butyrolactone J. Electrochem. Soc. 1994, 141, 3336-3342
38. Battisti, D.; Nazri, G. A.; Klassen, B.; Aroca, R. Vibrational Studies of Lithium Perchlorate in Propylene Carbonate Solutions J. Phys. Chem. 1993, 97, 5826-5830
39. 12 Dissolved in Propylene Carbonate Studied by NMR Methods J. Electrochem. Soc. 2009, 156, A744-A750
40. 6 J. Chem. Phys. 1999, 110, 5392-5402
41. Barthel, J.; Gores, H. J.; Carlier, P.; Feuerlein, F.; Utz, M. The Temperature Dependence of the Properties of Electrolyte Solutions. V. Determination of the Glass Transition Temperature and Comparison of the Temperature Coefficients of Electrolyte Conductance and Solvent Viscosity of Propylene Carbonate Solutions Ber. Bunsen-Ges. Phys. Chem. 1983, 87, 436-443
42. Frech, R.; Huang, W. Anion-Solvent and Anion-Cation Interactions in Lithium and Tetrabutylammonium Trifluoromethanesulfonate Solutions J. Solution Chem. 1994, 23, 469-481
43. Frech, R.; Huang, W.; Dissanayake, M. Ionic Association of Lithium Triflate in Glymes, Model Solvents, and High Molecular Weight Poly(ethylene oxide) Mater. Res. Soc. Symp. Proc. 1995, 369, 523-534
44. Bacelon, P.; Corset, J.; Loze, C. Anion Solvation II. Solvation of Thiocyanate and Halide Anions in Mixtures of Protic and Aprotic Solvents J. Solution Chem. 1983, 12, 13-22
45. Bacelon, P.; Corset, J.; Loze, C. Anion Solvation III. Infrared Spectroscopic Determination of Solvent Acceptor Numbers and Their Use in Understanding Anion Solvation J. Solution Chem. 1983, 12, 23-31
46. 3 Electrochim. Acta 1995, 40, 2369-2373
47. Mollner, A.; Brooksby, P.; Loring, J.; Bako, I.; Palinkas, G.; Fawcett, W. Ion-Solvent Interactions in Acetonitrile Solutions of Lithium Iodide and Tetrabutylammonium Iodide J. Phys. Chem. A 2004, 108, 3344-3349
48. Stevens, J.; Jacobsson, P. A Comparison of Acetone and Poly(propylene glycol) as Solvents for Lithium Triflate and Lithium Perchlorate Can. J. Chem. 1991, 69, 1980-1984
49. 4/Ethylene Carbonate Electrolyte by Raman and Infrared Spectroscopy J. Electrochem. Soc. 1998, 145, 3346-3350
50. Schantz, S.; Sandahl, J.; Borjesson, L.; Torell, L. M.; Stevens, J. R. Ion Pairing in Polymer Electrolytes; a Comparative Raman Study of Sodium Triflate Complexed in Poly(propylene glycol) and Dissolved in Acetonitrile Solid State Ionics 1988, 28-30, 1047-1053
51. Mukherjee, L. M.; Boden, D. P. Equilibria in Propylene Carbonate. I. Viscosity and Conductance Studies of Some Lithium and Quaternary Ammonium Salts J. Phys. Chem. 1969, 73, 3965-3968