International Journal of Electrochemistry / 2012 / Article / Fig 5

Review Article

Simple Ion Transfer at Liquid|Liquid Interfaces

Figure 5

Average density profiles from the H2O-CHCl3 system. Average density profile of water (blue line) and of chloroform (green line). The liquid|liquid interfacial system consists of two adjacent liquid slabs of 616 water molecules and 246 molecules arranged in a rectangular box of size 3.3 nm × 3.3 nm × 3.3 nm. All simulations were performed using the Gromacs package in the NpT ensemble at 298 K and 1.00 atm. Periodic boundary conditions were applied in all three directions of the Verlet Leapfrog algorithm which was used to integrate the equations of motion, with a time step of 2 fs.
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