Figure 3.

Pmf for association of three methane molecules in an equilateral configuration for varying pressure, including Lennard–Jones and solvent contributions. Note that the energy unit is 3k_BT for comparison with the pair pmfs shown in Fig. 2. The three-body pmfs are shown as a function of the pair distance r for pressures between −16 and 725 MPa, where the arrow indicates changes with increasing pressure. (Inset) Difference in free energy between the contact and solvent-separated minimum as a function of pressure.