Publications

• Ramesh Singh “A Monte Carlo simulation study to predict the solubility of H2S in ionic liquids with 1-butyl-3-methylimidazolium ([C4mim+]) cation and tetrafluoroborate ([BF4−]), hexaflorophosphate ([PF6−]) and bis(trifluoromethanesulfonyl)amide ([Tf2N−]) anions” Molecular Simulation (2017) (http://dx.doi.org/10.1080/08927022.2016.1269260)

• Xiaoxia He, Joshua Monk, Ramesh Singh, Francisco R Hung, “Molecular modelling of ionic liquids in the ordered mesoporous carbon CMK-5”, Molecular Simulation (2015)

• Ramesh Singh, Eliseo Marin-Rimoldi, and Edward J. Maginn, “A Monte Carlo Simulation Study To Predict the Solubility of Carbon Dioxide, Hydrogen, and Their Mixture in the Ionic Liquids 1-Alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ([Cnmim+][Tf2N–], n = 4, 6)”, Ind. Eng. Chem. Res., 54 (16), 4385–4395 (2015)

• Ramesh Singh, Nav Nidhi Rajput, Xiaoxia He, Joshua Monk, Francisco R Hung, “Molecular dynamics simulations of the ionic liquid [EMIM+][TFMSI−] confined inside rutile (110) slit nanopores”, Phys. Chem. Chem. Phys., 15, 16090-16103 (2013)

• N. N. Rajput, J. Monk, R. Singh and F. R. Hung, "On the influence of pore size and pore loading on structural and dynamical heterogeneities of an ionic liquid confined in a slit nanopore", J. Phys. Chem. C 116, 5169-5181 (2012) (http://dx.doi.org/10.1021/jp212440f)

• R. Singh, J. Monk and F. R. Hung, "Heterogeneity in the dynamics of the ionic liquid [BMIM+][PF6-] confined in a slit nanopore", J. Phys. Chem. C 115, 16544-16554 (2011) (http://dx.doi.org/10.1021/jp2046118)

• J. Monk, R. Singh and F. R. Hung, “Effects of pore size and pore loading on the properties of ionic liquids confined inside nanoporous CMK-3 carbon materials”, J. Phys. Chem. C 115, 3034-3042 (2011) (http://dx.doi.org/10.1021/jp1089189)

• R. Singh, J. Monk and F. R. Hung, “A computational study of the behavior of the ionic liquid [BMIM+][PF6-] confined inside multi-walled carbon nanotubes”, J. Phys. Chem. C 114, 15478-15485 (2010) (http://dx.doi.org/10.1021/jp1058534)