solubility_parameter

despasito.thermodynamics.calculation_types.solubility_parameter

solubility_parameter(Eos, **sys_dict)[source]

Calculate the Hildebrand 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.

Input and system information are assessed first. An output file is generated with T, xi, \(\rho_{l}\), and \(\delta\).

Parameters:

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

  • Tlist (list, Optional, default=298.15) – [K] Temperature of the system corresponding Plist. If one value is given, this temperature will be used for all temperatures.

  • xilist (list, Optional, default=[1.0]) – Default assumes all of one component. List of component mole fraction sets, where sum(xi)=1.0 for each set. Each set of components corresponds to a temperature in Tlist, or if one set is given, this composition will be used for all temperatures.

  • Plist (list, Optional, default=101325.0) – [Pa] Pressure of the system corresponding to Tlist. If one value is given, this pressure will be used for all temperatures.

  • MultiprocessingObject (obj, Optional) – Multiprocessing object, MultiprocessingJob

  • kwargs (Optional) – Keyword arguments for calc_liquid_density() and calc_hildebrand_solubility()

Returns:

output_dict – Output dictionary containing given and calculated values

  • T: [K] Temperature array generated from given instructions

  • P: [Pa] Pressure array generated from given instructions

  • xi: Composition generated from given instructions

  • rhol: [mol/\(m^3\)] Evaluated liquid density

  • delta: Hidebrand solubility parameter given system conditions

Return type:

dict