| 1 |
Comparative Study of Influence of Ethanol and 2,2,2-Trifluoroethanol on Thermophysical Properties of 1-Ethyl-3-methylimidazolium Dicyanamide in Binary Mixtures: Experimental and MD Simulations
Fatima U, Riyazuddeen, Dhakal P, Shah JK
Journal of Chemical and Engineering Data, 66(1), 101, 2021 |
| 2 |
Macroscopic Differentiators for Microscopic Structural Nonideality in Binary Ionic Liquid Mixtures
Kapoor U, Shah JK
Journal of Physical Chemistry B, 124(36), 7849, 2020 |
| 3 |
Evaluation of the predictive capability of ionic liquid force fields for CH4, CO2, NH3, and SO2 phase equilibria
Kapoor U, Banerjee A, Shah JK
Fluid Phase Equilibria, 492, 161, 2019 |
| 4 |
Monte Carlo Simulations of Pure and Mixed Gas Solubilities of CO2 and CH4 in Nonideal Ionic Liquid-Ionic Liquid Mixtures
Kapoor U, Shah JK
Industrial & Engineering Chemistry Research, 58(50), 22569, 2019 |
| 5 |
A molecular simulation approach to the computation of mutual solubility of water and organic liquids: Application to fatty acids
Chandran P, Shah JK
Fluid Phase Equilibria, 472, 48, 2018 |
| 6 |
Thermophysical Properties of Imidazolium-Based Binary Ionic Liquid Mixtures Using Molecular Dynamics Simulations
Kapoor U, Shah JK
Journal of Chemical and Engineering Data, 63(7), 2512, 2018 |
| 7 |
Globular, Sponge-like to Layer-like Morphological Transition in 1-&ITn&IT-Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series
Kapoor U, Shah JK
Journal of Physical Chemistry B, 122(1), 213, 2018 |
| 8 |
Molecular Origins of the Apparent Ideal CO2 Solubilities in Binary Ionic Liquid Mixtures
Kapoore U, Shah JK
Journal of Physical Chemistry B, 122(42), 9763, 2018 |
| 9 |
Molecular Simulation Study of the Performance of Supported Ionic Liquid Phase Materials for the Separation of Carbon Dioxide from Methane and Hydrogen
Budhathoki S, Shah JK, Maginn EJ
Industrial & Engineering Chemistry Research, 56(23), 6775, 2017 |
| 10 |
Monte Carlo simulations of water solubility in ionic liquids: A force field assessment
Marin-Rimoldi E, Shah JK, Maginn EJ
Fluid Phase Equilibria, 407, 117, 2016 |
