A generalized procedure for the prediction of multicomponent adsorption equilibria
Abstract
Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary‐mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model, for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory. © 2015 American Institute of Chemical Engineers AIChE J , 61: 2600–2610, 2015
- Authors:
-
- Georgia Institute of Technology, Atlanta, GA (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1213316
- Alternate Identifier(s):
- OSTI ID: 1401383
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- AIChE Journal
- Additional Journal Information:
- Journal Volume: 61; Journal Issue: 8; Journal ID: ISSN 0001-1541
- Publisher:
- American Institute of Chemical Engineers
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Ladshaw, Austin, Yiacoumi, Sotira, and Tsouris, Costas. A generalized procedure for the prediction of multicomponent adsorption equilibria. United States: N. p., 2015.
Web. doi:10.1002/aic.14826.
Ladshaw, Austin, Yiacoumi, Sotira, & Tsouris, Costas. A generalized procedure for the prediction of multicomponent adsorption equilibria. United States. https://doi.org/10.1002/aic.14826
Ladshaw, Austin, Yiacoumi, Sotira, and Tsouris, Costas. Tue .
"A generalized procedure for the prediction of multicomponent adsorption equilibria". United States. https://doi.org/10.1002/aic.14826. https://www.osti.gov/servlets/purl/1213316.
@article{osti_1213316,
title = {A generalized procedure for the prediction of multicomponent adsorption equilibria},
author = {Ladshaw, Austin and Yiacoumi, Sotira and Tsouris, Costas},
abstractNote = {Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary‐mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model, for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory. © 2015 American Institute of Chemical Engineers AIChE J , 61: 2600–2610, 2015},
doi = {10.1002/aic.14826},
journal = {AIChE Journal},
number = 8,
volume = 61,
place = {United States},
year = {Tue Apr 07 00:00:00 EDT 2015},
month = {Tue Apr 07 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
Equilibrium adsorption of multicomponent gas mixtures at elevated pressures
journal, August 1987
- Ritter, J. A.; Yang, R. T.
- Industrial & Engineering Chemistry Research, Vol. 26, Issue 8
Activity coefficients of mixtures adsorbed on heterogeneous surfaces
journal, July 1983
- Myers, A. L.
- AIChE Journal, Vol. 29, Issue 4
Thermodynamics of mixed-gas adsorption
journal, January 1965
- Myers, A. L.; Prausnitz, J. M.
- AIChE Journal, Vol. 11, Issue 1, p. 121-127
Generalized gas–solid adsorption modeling: Single-component equilibria
journal, February 2015
- Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas
- Fluid Phase Equilibria, Vol. 388
Adsorption of binary and ternary hydrocarbon gas mixtures on activated carbon: Experimental determination and theoretical prediction of the ternary equilibrium data
journal, January 1981
- Costa, E.; Sotelo, J. L.; Calleja, G.
- AIChE Journal, Vol. 27, Issue 1
Measurement and prediction of binary adsorption equilibria of vapors on dealuminated Y-zeolites (DAY)
journal, July 1998
- Sakuth, M.; Meyer, J.; Gmehling, J.
- Chemical Engineering and Processing: Process Intensification, Vol. 37, Issue 4
Modeling spreading-pressure-dependent binary gas coadsorption equilibria using gravimetric data
journal, January 2006
- Tondeur, D.; Yu, F.; Bonnot, K.
- Journal of Colloid and Interface Science, Vol. 293, Issue 2
A quasi lattice-local composition model for the excess Gibbs free energy of liquid mixtures
journal, January 1977
- Vera, J. H.; Sayegh, S. G.; Ratcliff, G. A.
- Fluid Phase Equilibria, Vol. 1, Issue 2
Mean-Variance Approximations to the Geometric mean
journal, April 2012
- Markowitz, Harry
- Annals of Financial Economics, Vol. 07, Issue 01
Accurate correlation, thermochemistry, and structural interpretation of equilibrium adsorption isotherms of water vapor in zeolite 3A by means of a generalized statistical thermodynamic adsorption model
journal, September 2009
- Llano-Restrepo, Mario; Mosquera, Martín A.
- Fluid Phase Equilibria, Vol. 283, Issue 1-2
Vacancy solution theory of adsorption using Flory-Huggins activity coefficient equations
journal, February 1985
- Cochran, T. W.; Kabel, R. L.; Danner, R. P.
- AIChE Journal, Vol. 31, Issue 2
Group-contribution estimation of activity coefficients in nonideal liquid mixtures
journal, November 1975
- Fredenslund, Aage; Jones, Russell L.; Prausnitz, John M.
- AIChE Journal, Vol. 21, Issue 6
Multicomponent adsorption equilibria of nonideal mixtures
journal, August 1986
- Talu, Orhan; Zwiebel, Imre
- AIChE Journal, Vol. 32, Issue 8
On the derivation and extension of the uniquac equation
journal, January 1978
- Maurer, G.; Prausnitz, J. M.
- Fluid Phase Equilibria, Vol. 2, Issue 2
van der Waals Volumes and Radii
journal, March 1964
- Bondi, A.
- The Journal of Physical Chemistry, Vol. 68, Issue 3, p. 441-451
Rigorous thermodynamic treatment of gas adsorption
journal, November 1988
- Talu, Orhan; Myers, Alan L.
- AIChE Journal, Vol. 34, Issue 11
Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems
journal, January 1975
- Abrams, Denis S.; Prausnitz, John M.
- AIChE Journal, Vol. 21, Issue 1