feos.dft.ExternalPotential.Steele¶
- static ExternalPotential.Steele(sigma_ss, epsilon_k_ss, rho_s, xi=None)¶
Steele potential
\[V_i^\mathrm{ext}(z)=2\pi m_i\xi\varepsilon_{si}\sigma_{si}^2\Delta\rho_s\left(0.4\left(\frac{\sigma_{si}}{z}\right)^{10}-\left(\frac{\sigma_{si}}{z}\right)^4-\frac{\sigma_{si}^4}{3\Delta\left(z+0.61\Delta\right)^3}\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right),~~~~\Delta=3.35\]- Parameters:
sigma_ss (float) – Segment diameter of the solid.
epsilon_k_ss (float) – Energy parameter of the solid.
rho_s (float) – Density of the solid.
xi (float, optional) – Binary wall-fluid interaction parameter.
- Return type: