Chemistry Reference
In-Depth Information
ionic liquids. This tutorial is intended to encourage and facilitate the adoption
of simulation techniques and protocols by additional ionic liquid researchers
to further our understanding of these fascinating substances.
ACKNOWLEDGMENTS
I thank my colleagues who have worked with me over the years on simu-
lations of ionic liquids: Timothy Morrow, Jindal Shah, Cesar Cadena, David
Eike, David Couling, David Tagler, Nate Stober, Wei Shi, Sai Jayaraman,
Manish Kelkar, Keith Gutowski, and Burcu Eksioglu. This work has been
funded by the Air Force Office of Scientific Research, the National Science
Foundation, the U.S. Department of Energy, and the Indiana 21st Century
Technology Fund. I especially thank Dr. Steve Plimpton and the Computer
Science Research Institute at Sandia National Laboratory, Albuquerque,
New Mexico, for hosting me on a sabbatical visit, during which time this
chapter was written.
REFERENCES
1. J. S. Wilkes, Green Chem. , 4 , 73 (2002). A Short History of Ionic Liquids—FromMolten Salts
to Neoteric Solvents.
2. M. J. Earle, J. M. S. S. Esperanca, M. A. Gilea, J. N. C. Lopes, L. P. N. Rebelo, J. W. Magee,
K. R. Seddon, and J. A. Widegren, Nature , 439 , 831 (2006). The Distillation and Volatility of
Ionic Liquids.
3. J. L. Anthony, E. J. Maginn, and J. F. Brennecke, J. Phys. Chem. B , 106 , 7315 (2002).
Solubilities and Thermodynamic Properties of Gases in the Ionic Liquid 1- n -butyl-3-
methylimidazolium Hexafluorophosphate.
4. J. L. Anderson, J. K. Dixon, E. J. Maginn, and J. F. Brennecke, J. Phys. Chem. B , 110 , 15059
(2006). Measurement of SO 2 Solubility in Ionic Liquids.
5. P. Nockemann, B. Thijs, K. Driesen, C. R. Janssen, K. Van Hecke, L. Van Meervelt,
S. Kossmann, B. Kircher, and K. Binnemans, J. Phys. Chem. B , 111 , 5254 (2007). Choline
Saccharinate and Choline Acesulfamate: Ionic Liquids with Low Toxicities.
6. C. B. Jones, R. Haiges, T. Schroer, and K. O. Christe, Angw. Chem.—Int. Ed. , 45 , 4981
(2006). Oxygen-Balanced Energetic Ionic Liquid.
7. B. S. Phillipsa and J. S. Zabinskib, Trib. Lett. , 17 , 555 (2004). Ionic Liquid Lubrication Effects
on Ceramics in a Water Environment.
8. J. G. Huddleston, A. E. Visser, W. M. Reichert, H. D. Willauer, G. A. Broker, and R. D.
Rogers, Green Chem. , 3 , 156 (2001). Characterization and Comparison of Hydrophillic and
Hydrophobic Room Temperature Ionic Liquids Incorporating the Imidazolium Cation.
9. J. M. Crosthwaite, S. N. V. K. Aki, E. J. Maginn, and J. F. Brennecke, Fluid Phase Equil. , 228 ,
303 (2005). Liquid Phase Behavior of Imidazolium-Based Ionic Liquids with Alcohols: Effect
of Hydrogen Bonding and Non-Polar Interactions.
10. NIST Ionic Liquids Database (IL Thermo), http://ilthermo.boulder.nist.gov/ILThermo/
mainmenu.uix.
11. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. N. Teller, and E. Teller, J. Chem.
Phys. , 21 , 1087 (1953). Equation of State Calculations by Fast Computing Machines.
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