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Welcome to the VLE wiki!

First step

Run get_chemical command on "chemsep_operation" file. It will create chemical pickle objects. As long as the folder structure or "Chemical" class definition remains unaltered, this process is done only once, namely before the first usage of this module.

Fugacity/Activity coefficient calculations

In "fugacity" file, which is actually an interface, all the required operations can be done related to fugacity and activity coefficient calculations.

EXAMPLE Library index for Water:1921 Library index for Ethanol:1102 !!! Library index vs Chemical name pairs can be found on "names.txt" file.

chem1 = get_chemical("1921") --Get chemical objects chem2 = get_chemical("1102")

fugacity_liquid([chem1,chem2], 320, [0.7,0.3], method="Unifac", kij_input = None, kij_tune=None)

Pressure-Temperature Flash calculations

EXAMPLE

chem1 = get_chemical("1921") chem2 = get_chemical("1102")

PT_flash([chem1,chem2],101325,352.5,[0.35, 0.65], models=["SRK","NRTL"],mode= "gamma-phi")