calc_da1sii_drhos

despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python.calc_da1sii_drhos

calc_da1sii_drhos(rho, Cmol2seg, l_ii_avg, zetax, epsilonii_avg, dii_avg)[source]

Return the derivative of a1s,ii_avg(rho*Cmol2seg,l_ii_avg) with represent to number density in Kelvin

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]

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

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

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

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

Returns:

calc_da1sii_drhos – Matrix used in the calculation of \(A_1\) the first order term of the perturbation expansion corresponding to the mean-attractive energy

Return type:

numpy.ndarray