calc_da2ii_1pchi_drhos

despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python.calc_da2ii_1pchi_drhos

calc_da2ii_1pchi_drhos(rho, Cmol2seg, epsilonii_avg, dii_eff, x0ii, l_rii_avg, l_aii_avg, zetax)[source]

Compute derivative of the term, \(\frac{\bar{a}_{2,ii}}{1+\bar{\chi}_{ii}}\) with respect to \(\rho_s\).

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

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

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

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

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

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

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

Returns:

da2ii_1pchi_drhos – Term used in the calculation of the second-order term from the macroscopic compressibility

Return type:

numpy.ndarray