Figure 5
(a) Heat capacity \(C_P(T)\) of q-TIP4P/F water for P = -100, 0.1, 100, 200, 300, and 400 MPa. \(C_P(T)\) was calculated by using Eq. (3) and the H(T) expression obtained from the TSEOS and PIMD simulations (solid lines). Experimental data are indicated by empty triangles (left-triangles from Refs.4,69; right-triangles from Refs.59). (b) Same as (a) for the case of classical MD simulations. The experimental data from Pathak et al.10 (green up-triangles) show a maximum at \(T \approx 228\) K.
