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A new thermodynamic function for phase‐splitting at constant temperature, moles, and volume
Author(s) -
Mikyška Jiří,
Firoozabadi Abbas
Publication year - 2011
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.12387
Subject(s) - helmholtz free energy , thermodynamics , volume (thermodynamics) , constant (computer programming) , function (biology) , computation , work (physics) , phase (matter) , phase equilibrium , thermodynamic equilibrium , mathematics , chemistry , physics , computer science , algorithm , organic chemistry , evolutionary biology , biology , programming language
We introduce a new thermodynamic function for phase‐split computations at constant temperature, moles, and volume. The new volume function F i introduced in this work is a natural choice under these conditions. Phase equilibrium conditions in terms of the volume functions are derived using the Helmholtz free energy. We present a numerical algorithm to investigate two‐phase equilibrium based on the fixed point iteration and Newton method. We demonstrate usefulness and powerful features of the new thermodynamic function for a number of examples in two‐phase equilibrium calculations. © 2010 American Institute of Chemical Engineers AIChE J, 2011