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Simplified local density model for adsorption over large pressure ranges
Author(s) -
Rangarajan Bharath,
Lira Carl T.,
Subramanian Ramkumar
Publication year - 1995
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.690410411
Subject(s) - supercritical fluid , equation of state , van der waals equation , van der waals force , thermodynamics , critical point (mathematics) , adsorption , chemistry , phase (matter) , physics , mathematics , geometry , molecule , organic chemistry
Abstract A mean‐field model is developed that superimposes the fluid‐solid potential on a fluid equation of state to predict adsorption on a flat wall from vapor, liquid, and supercritical phases. A van der Waals‐type equation of state is used to represent the fluid phase, and is simplified with a local density approximation for calculating the configurational energy of the inhomogeneous fluid. The simplified local density approximation makes the model tractable for routine calculations over wide pressure ranges. The model is capable of prediction of Type II and III subcritical isotherms for adsorption on a flat wall, and shows the characteristic cusplike behavior and crossovers seen experimentally near the fluid critical point.