calc_a1s

despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python.calc_a1s

calc_a1s(rho, Cmol2seg, l_kl, zetax, epsilonkl, dkl)[source]

Return a1s,kl(rho*Cmol2seg,l_kl) in K as defined in eq. 25.

Used in the calculation of \(A_1\) 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]

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

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

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

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

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

Returns:

a1s – Matrix used in the calculation of \(A_1\) the first order term of the perturbation expansion corresponding to the mean-attractive energy, size is the Nrho x Ngroups x Ngroups

Return type:

numpy.ndarray