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Manish S. Kelkar, Ph.D.

Affiliations: 
2007 University of Notre Dame, Notre Dame, IN, United States 
Area:
Chemical Engineering
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"Manish Kelkar"
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Edward J. Maginn grad student 2007 Notre Dame
 (Computing transport properties of molecular and ionic fluids using atomistic simulations.)

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Shiflett MB, Elliott BA, Lustig SR, et al. (2012) Phase behavior of CO2 in room-temperature ionic liquid 1-ethyl-3-ethylimidazolium acetate. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 1806-17
Kelkar MS, Shi W, Maginn EJ. (2008) Determining the accuracy of classical force fields for ionic liquids: Atomistic simulation of the thermodynamic and transport properties of 1-ethyl-3-methylimidazolium ethylsulfate ([emim][EtSO4]) and its mixtures with water Industrial and Engineering Chemistry Research. 47: 9115-9126
Kelkar MS, Maginn EJ. (2008) On the use of molecular modeling to predict a wide range of thermodynamic and transport properties for the ionic liquid 1-Ethyl-3-Methylimidazolium Ethylsulfate and its mixtures with water Aiche Annual Meeting, Conference Proceedings
Kelkar MS, Maginn EJ. (2007) Calculating the enthalpy of vaporization for ionic liquid clusters. The Journal of Physical Chemistry. B. 111: 9424-7
Strasser D, Goulay F, Kelkar MS, et al. (2007) Photoelectron spectrum of isolated ion-pairs in ionic liquid vapor. The Journal of Physical Chemistry. A. 111: 3191-5
Kelkar MS, Maginn EJ. (2007) Effect of temperature and water content on the shear viscosity of the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide as studied by atomistic simulations. The Journal of Physical Chemistry. B. 111: 4867-76
Kelkar MS, Rafferty JL, Maginn EJ, et al. (2007) Prediction of viscosities and vapor-liquid equilibria for five polyhydric alcohols by molecular simulation Fluid Phase Equilibria. 260: 218-231
Kelkar MS, Maginn EJ. (2005) Rapid shear viscosity calculation by momentum impulse relaxation molecular dynamics. The Journal of Chemical Physics. 123: 224904
Kelkar MS, Maginn EJ. (2005) Rapid shear viscosity calculation by Momentum impulse relaxation Molecular Dynamics (Mir-MD) Aiche Annual Meeting, Conference Proceedings. 10428
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