calc_Bkl

despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python.calc_Bkl

calc_Bkl(rho, l_kl, Cmol2seg, dkl, epsilonkl, x0kl, zetax)[source]

Return Bkl(rho*Cmol2seg,l_kl) in K as defined in eq. 20.

Used in the calculation of the first order term of the perturbation expansion corresponding to the mean-attractive energy.

Parameters:

  • rho (numpy.ndarray) – Number density of system [mol/m^3]

  • l_kl (numpy.ndarray) – \(\lambda_{k,l}\) Matrix of Mie potential exponents for k,l groups

  • Cmol2seg (float) – Conversion factor from from molecular number density, \(\rho\), to segment (i.e. group) number density, \(\rho_S\). Shown in eq. 13

  • dkl (numpy.ndarray) – Matrix of hard sphere diameters for groups (k,l)

  • epsilonkl (numpy.ndarray) – Matrix of well depths for groups (k,l)

  • x0kl (numpy.ndarray) – Matrix of sigmakl/dkl, ratio of Mie radius for groups scaled by hard sphere interaction (k,l)

  • zetax (numpy.ndarray) – Matrix of hypothetical packing fraction based on hard sphere diameter for groups (k,l)

Returns:

Bkl – Matrix used in the calculation of \(A_1\) the first order term of the perturbation expansion corresponding to the mean-attractive energy, size is rho x l_kl.shape

Return type:

numpy.ndarray