Saeid Karimi: You are asking how to compare your simulation data with experimental results. In that case, it depends on the parameter you are looking for, like the dissolution enthalpy, or the changes in entropy. If you find data related to those quantities in experimental papers, it's always a good idea, to compare your results with experiments. If the results, do not agree, it's good to change the force field for example, or look at your input file parameters. I hope this answer helps.