Movies of thin film water on NaCl(100) surfacedoi:10.18419/darus-2697DaRUS2022-03-251Gravelle, Simon, 2022, "Movies of thin film water on NaCl(100) surface", https://doi.org/10.18419/darus-2697, DaRUS, V1Movies of thin film water on NaCl(100) surfacedoi:10.18419/darus-2697Gravelle, Simon327154368DaRUSGravelle, SimonHuber, FrankGravelle, Simon2022-03-17ChemistryComputer and Information SciencePhysicsMolecular Dynamics SimulationVMD: Visual Molecular DynamicsGROMACSAdsorptionWaterSodium ChlorideVideos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon (<a href="https://doi.org/10.1021/jp410865y">https://doi.org/10.1021/jp410865y</a>), and the force field for the ions is from Loche et al. (<a href="https://doi.org/10.1021/acs.jpcb.1c05303">https://doi.org/10.1021/acs.jpcb.1c05303</a>). The trajectories have been generated using the GROMACS simulation package, and the videos have been created using VMD.Gravelle, Simon, 2022, "Molecular simulation scripts for thin film water on NaCl surface", <a href="https://doi.org/10.18419/darus-2726">https://doi.org/10.18419/darus-2726</a>, DaRUS<br/>Gravelle, Simon, 2022, "Movies of thin film water on rough NaCl surface", <a href="https://doi.org/10.18419/darus-2670">https://doi.org/10.18419/darus-2770</a>, DaRUStheta-0.1.mp4Water content of 0.1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.video/mp4theta-0.3.mp4Water content of 0.3 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.video/mp4theta-1.0.mp4Water content of 1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.video/mp4theta-3.0.mp4Water content of 3 water molecules per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.video/mp4