To equilibrate the IL solutions, the following procedure was employed. The system was first energy minimized using conjugate gradient algorithm. Then, the system was equilibrated for 4 short runs of 150 ps each in the NVT ensemble, 14 short runs of 150 ps each in an NPT ensemble at 298K, in which the density was recorded over the last 150 ps and averaged.Then, each system was further simulated for 20ns runs in the NVE ensemble. The equilibration was assured by analyzing the system potential energy and relevant physicochemical properties such as density as a function of simulation time.