calc_dBkl_drhos

despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python.calc_dBkl_drhos

calc_dBkl_drhos(l_ii_avg, dii_avg, epsilonii_avg, x0ii, zetax)[source]

Return derivative of Bkl(rho*Cmol2seg,l_ii_avg) with respect to \(\rho_S\).

Used in the calculation of \(A_1\) the first order term of the perturbation expansion corresponding to the mean-attractive energy.

Parameters:

  • l_aii_avg (numpy.ndarray) – Average bead (i.e. group or segment) attractive exponent in component (i.e. molecule) i.

  • dii_avg (numpy.ndarray) – Effective hard sphere diameter of the beads (i.e. groups or segments) in component (i.e. molecule) i.

  • epsilonii_avg (numpy.ndarray) – Average bead (i.e. group or segment) potential well depth in component (i.e. molecule) i.

  • x0ii (numpy.ndarray) – Matrix of sigmaii_avg/dii_eff

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

Returns:

dBkl_drhos – 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_ii_avg.shape

Return type:

numpy.ndarray