studied through the use of molecular dynamics simulations. The hydration free energy is
calculated using the thermodynamic integration technique. It is observed that the
hydrophobicity of the C60 in normal water is entropy-driven and characterized by a free
energy of about 58kJmol− 1. Our thermodynamic results indicate that this hydrophobic
character is sensitively reduced in a supercritical state near of the critical point and that the …