# 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.

- Authors:

- Georgia Institute of Technology, Atlanta, GA (United States)

- Publication Date:

- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

- Sponsoring Org.:
- USDOE

- OSTI Identifier:
- 1213316

- Alternate Identifier(s):
- OSTI ID: 1401383

- Grant/Contract Number:
- AC05-00OR22725; NFE-12-03822

- Resource Type:
- Journal Article: 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. doi:10.1002/aic.14826.

```
Ladshaw, Austin, Yiacoumi, Sotira, and Tsouris, Costas. Tue .
"A generalized procedure for the prediction of multicomponent adsorption equilibria". United States.
doi: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.},

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}

}

*Citation information provided by*

Web of Science

Web of Science

Works referenced in this record:

##
Thermodynamics of mixed-gas adsorption

journal, January 1965

- Myers, A. L.; Prausnitz, J. M.
- AIChE Journal, Vol. 11, Issue 1, p. 121-127

##
van der Waals Volumes and Radii

journal, March 1964

- Bondi, A.
- The Journal of Physical Chemistry, Vol. 68, Issue 3, p. 441-451