hildebrand_solubility

despasito.thermodynamics.calc.hildebrand_solubility

hildebrand_solubility(rhol, xi, T, Eos, dT=0.1, tol=0.0001, density_opts={}, **kwargs)[source]

Calculate the solubility parameter based on temperature and composition.

This function is based on the method used in Zeng, Z., Y. Xi, and Y. Li Calculation of Solubility Parameter Using Perturbed-Chain SAFT and Cubic-Plus-Association Equations of State Ind. Eng. Chem. Res. 2008. 47, 9663-9669.

Parameters:

  • rhol (float) – Liquid molar density [mol/\(m^3\)]

  • xi (numpy.ndarray) – Liquid mole fraction of each component, sum(xi) should equal 1.0

  • T (float) – Temperature of the system [K]

  • Eos (obj) – An instance of the defined EOS class to be used in thermodynamic computations.

  • dT (float, Optional, default=0.1) – Change in temperature used in calculating the derivative with central difference method

  • tol (float, Optional, default=1e-4) – This cutoff value evaluates the extent to which the integrand of the calculation has decayed. If the last value if the array is greater than tol, then the remaining area is estimated as a triangle, where the intercept is estimated from an interpolation of the previous four points.

  • density_opts (dict, Optional, default={}) – Dictionary of options used in calculating pressure vs. specific volume in pressure_vs_volume_arrays()

Returns:

delta – Solubility parameter [\(Pa^(1/2)\)], ratio of cohesive energy and molar volume

Return type:

float