feos.dft.ExternalPotential.CustomSteele¶
- static ExternalPotential.CustomSteele(sigma_sf, epsilon_k_sf, rho_s, xi=None)¶
Steele potential with custom combining rules
\[V_i^\mathrm{ext}(z)=2\pi m_i\xi\varepsilon_{si}\sigma_{si}^2\Delta\rho_s\left(0.4\left(\frac{\sigma_{si}}{z}\right)^{10}-\left(\frac{\sigma_{si}}{z}\right)^4-\frac{\sigma_{si}^4}{3\Delta\left(z+0.61\Delta\right)^3}\right),~~~~\Delta=3.35\]- Parameters:
sigma_sf (numpy.ndarray[float]) – Solid-fluid interaction diameters.
epsilon_k_sf (numpy.ndarray[float]) – Solid-fluid interaction energies.
rho_s (float) – Density of the solid.
xi (float, optional) – Binary wall-fluid interaction parameter.
- Return type: