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A modified perturbed chain‐statistical associating fluid theory equation of state for water which includes an association dependent hard sphere diameter
Author(s) -
Marshall Bennett D.
Publication year - 2021
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.17342
Subject(s) - equation of state , representation (politics) , chain (unit) , association (psychology) , extension (predicate logic) , statistical physics , state (computer science) , thermodynamics , mathematics , physics , computer science , algorithm , quantum mechanics , philosophy , epistemology , politics , political science , law , programming language
The concept of an association dependent hard sphere diameter is introduced as a means to obtain an accurate perturbed chain‐statistical associating fluid theory (PC‐SAFT) equation of state model for water. The new approach is demonstrated to be a step change in accuracy for the representation of pure water properties as compared with standard PC‐SAFT applications. Extension of the approach to mixtures is discussed.