We report the improvement of five argon force fields by scaling Lennard-Jones {\bf 6-12 potential (LJP)} energy ($\epsilon$) and distance ($\sigma$) parameters to reproduce liquid-vapor phase diagram and surface tension simultaneously, with molecular dynamics. Original force fields reproduce only liquid-vapor phase diagram among other properties except surface tension. Results showed that all {\bf new} force fields {\bf obtained by scaling LJP parameters reproduce well the experimental surface tension and the liquid-vapor phase diagram}, also the LJP energy and distance parameters converge in a nearby region in the $\epsilon$-$\sigma$ phase space, which is different from the original values. This study gives the intervals where the numerical values of $\epsilon$ and $\sigma$ reproduce both properties mentioned above. {\bf Furthermore, a study to calculate surface tension to avoid finite size effects is shown.}

We report the improvement of five argon force fields by scaling Lennard-Jones energy (ǫ) and distance (σ) parameters to reproduce liquid-vapor phase diagram and surface tension simultaneously, with molecular dynamics. Original force fields reproduce only liquid-vapor phase diagram among other properties except surface tension. Results showed that all force fields converge in a nearby region in the ǫ-σ phase space, which is different from the original values. This study gives the intervals where the numerical values of ǫ and σ reproduce both properties mentioned above.

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A new force field for 1-propanol, in the united and all atom models, has been obtained by combining two different empirical methodologies. The first was developed by scaling atom charges, and Lennard-Jones parameters to fit the dielectric constant, surface tension, and density ((2018) J. Chem. Theory Comput. 14:5949-5958). The second methodology consists of moving these parameters and together with the bond distance to obtain the liquid-vapor phase diagram of the CO2 molecule ((1995) J. Phys. Chem. 99:12021-12024). The last methodology is used to obtain the self-diffusion coefficient, which was not considered in the first one. With this new methodology, the experimental density, dielectric constant, surface tension, and self-diffusion coefficient at ambient temperature could be achieved. Furthermore, we show the temperature dependence of the aforementioned properties. The static structure factors are in accordance with the experimental spectrum. Solubility is increased to the experimental value for the united atom model after applying this methodology and for all atom scheme, the experimental solubility value is maintained.