calc_dkk

despasito.equations_of_state.saft.saft_toolbox.calc_dkk

calc_dkk(epsilon, sigma, T, Cprefactor, lambdar, lambdaa=6.0)[source]

Calculates hard sphere diameter of a group k, \(d_{k,k}\). Defined in eq. 10. using a 40 point Gauss Legendre

Parameters:

  • epsilon (float) – \(\epsilon_{k,k}/k_B\), Energy well depth scaled by Boltzmann constant [K]

  • sigma (float) – \(\sigma_{k,k}\), Size parameter [Å] (or same units as r)

  • T (float) – Temperature of the system [K]

  • Cprefactor (float) – Prefactor for chosen potential

  • lambdar (float) – \(\lambda^{r}_{k,k}\), Exponent of repulsive term between groups of type k

  • lambdaa (float, Optional, default=6.0) – \(\lambda^{r}_{k,k}\), Exponent of repulsive term between groups of type k

Returns:

dkk – Hard sphere diameter of a group [Å]

Return type:

float