Sep 4th 2017, 08:20 AM
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Junior Member
Join Date: Aug 2017
Posts: 7
| Simulation validation
Dear all,
I've been working on an ionic liquid that I was involved in simulating with Lammps, but when I started to write its paper, I found a mistake (or a neglect) that makes almost all the results useless. I would always compare the pVT simulation data with the corresponding experimental data with an error below 3% for the comparison of V of simulation and experimental (in P, T similar), and so I assumed my simulations are validated, but when a couple of weeks ago, I compared p of simulation and experimental (in V, T similar), I found a very weird error of in average 50, sometimes 300%. What is this mean?
I mean, can I assume that my simulation data are validated and use them for further calculation?
Best regards
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