Saturation pressure

ADSORBATE_SATURATION_PRESSURE (default: None, type: String)

Specifies the saturation pressure model used for the calculations. This keyword can take as many arguments as the number of input files provided. However, since the keyword SATURATION_PRESSURE_FILE can only take one argument, using the extrapolation method multiple times would produce the same results.

Options: dubinin, amankwah, extrapolation, polynomial_water, peng_robinson, peng_robinson_extrapolation, prsv1_extrapolation, prsv2_extrapolation, widom_banuti, critical_isochore,

SATURATION_PRESSURE_FILE (default: None, type: String)

The path towards the file that contains the saturation pressure data. This keyword accepts only one argument. If the argument provided is local, the program will search its internal library for pre-made saturation pressure data file based on the argument given to the ADSORBATE keyword.

AMANKWAH_EXPONENT (default: 3.0, type: Float)

The exponent used for the amankwah method.

Computing saturation pressure curves

COMPUTE_SATURATION_PRESSURE_CURVE (default: no, type: String)

Specify if a stuartion pressure curve should be computed and saved using the first calculation method provided to ADSORBATE_SATURATION_PRESSURE.

Options: yes, no

SATURATION_PRESSURE_RANGE (default: None, type: Tuple{Float})

The range in which the saturation pressure is computed.

NUMBER_SATURATION_PRESSURE_POINTS (default: 50, type: Integer)

The number of points used to for computing the saturation pressure curve.