feos.dft.Adsorption3D¶
- class feos.dft.Adsorption3D¶
Container structure for adsorption isotherms in 3D pores.
Methods
__init__
()adsorption_isotherm
(functional, temperature, ...)Calculate an adsorption isotherm for the given pressure range.
desorption_isotherm
(functional, temperature, ...)Calculate a desorption isotherm for the given pressure range.
equilibrium_isotherm
(functional, ...[, ...])Calculate an equilibrium isotherm for the given pressure range.
phase_equilibrium
(functional, temperature, ...)Calculate a phase equilibrium in a pore.
Attributes
adsorption
enthalpy_of_adsorption
grand_potential
partial_molar_enthalpy_of_adsorption
pressure
profiles
total_adsorption