Studies on the effect of curvature on the surface properties of nanodrops

- This is a molecular dynamics (MD) study of nanodrop-vapor interfaces.
- Surface tension is estimated using test area simulation method (TASM).
- Surface tension decreases with the decrease of size of the drop.
- TASM results are compared with thermodynamic perturbation theory (TPT).
- Surface entropy of the interfaces was also observed to be size dependent property.

We present the results from the molecular dynamics (MD) simulations of nanodrops. A thermodynamic based method known as test area simulation method (TASM) developed by Gloor et al. [J. Chem. Phys. 123, 134703 (2005)] is employed to determine the surface tension. The results show that the value of surface tension decreases with the decrease of size of the drop. We have also determined the Tolman's gap and surface entropy of nanodrop-vapor interfaces for a better understanding of curvature effects on surface tension. Both these parameters are found to be size dependent properties. The thermodynamic perturbation theory (TPT) method is employed to validate the size effect of drops on surface tension. Second order approximation of TPT is found to be in good agreement with central difference TASM results.