Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials

Gharagheizi, Farhad; Sholl, David S.

doi:10.1021/acs.iecr.1c03876

Title: Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials

Journal Article · 19 December 2021 · Industrial and Engineering Chemistry Research

DOI: https://doi.org/10.1021/acs.iecr.1c03876 · OSTI ID:1847527

Gharagheizi, Farhad ^[1];

^[2]

Georgia Inst. of Technology, Atlanta, GA (United States)
Georgia Inst. of Technology, Atlanta, GA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Quantifying the adsorption of chemical mixtures in porous adsorbents is critical to developing these materials for useful separation applications. The ideal adsorbed solution theory (IAST) is the most widely applied mixing theory for predicting mixture adsorption using single-component adsorption data, but a perceived lack of experimental data has limited previous efforts to explore the accuracy of IAST in a systematic way. In this paper, we take advantage of a large collection of binary experimental data for gas adsorption that became available recently to tackle this issue. Specifically, we identify more than 400 examples in which binary adsorption data and single-component data are available in the same publication and apply IAST to all these examples. This analysis includes experimental data from 63 gas mixtures of 37 different molecular species and 174 different adsorbents. In addition to being the most systematic evaluation to date of the accuracy of IAST for gas adsorption, these data will be valuable for future efforts to test or develop mixing theories that improve upon IAST.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1847527

Journal Information:: Industrial and Engineering Chemistry Research, Journal Name: Industrial and Engineering Chemistry Research Journal Issue: 1 Vol. 61; ISSN 0888-5885

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials

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