Ramp model

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The ramp model, proposed by Jagla, is described by:


\Phi_{12}(r) = \left\{ 
\begin{array}{ll}
\infty & {\rm if} \; r < \sigma \\
W_r - (W_r-W_a) \frac{r-\sigma}{d_a-\sigma} & {\rm if} \; \sigma \leq r \leq d_a \\
W_a - W_a \frac{r-d_a}{d_c-d_a} &  {\rm if} \; d_a < r \leq d_c \\
0 &  {\rm if} \; r > d_c
\end{array} \right.

where Φ12(r) is the intermolecular pair potential, r := |\mathbf{r}_1 - \mathbf{r}_2|, Wr > 0 and Wa < 0.

Graphically, one has:

where the red line represents an attractive implementation of the model, and the green line a repulsive implementation.

[edit] Critical points

The liquid-vapour critical point is located at (Ref. 4)

T_c^* = 1.487 \pm 0.003
\rho_c \sigma^3 = 0.103 \pm 0.001
p_c^* \simeq 0.042

The liquid-liquid critical point is located at (Ref. 4)

T_c^* \simeq 0.378 \pm 0.003
\rho_c \sigma^3  \simeq 0.380 \pm 0.002
p_c^*/T_c^* \simeq 0.49 \pm 0.01

[edit] See also

[edit] References

  1. E. A. Jagla "Core-softened potentials and the anomalous properties of water", Journal of Chemical Physics' 111, pp. 8980-8986 (1999)
  2. E. Lomba, N. G. Almarza, C. Martin, C. McBride "Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies", Journal of Chemical Physics 126 244510 (2007)
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