Gas Separation by Sorption: A Statistical Thermodynamic Fluctuation Theory.
- 1York Structural Biology Laboratory, Department of Chemistry, University of York, Heslington, YorkYO10 5DD, U.K.
- 2Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka560-8531, Japan.
Abstract
To understand how gas mixtures can be separated and purified by adsorption, we present a novel theory of selective sorption that (i) is applicable to any interfacial geometry and porosity, (ii) synthesizes sorption and activity with built-in thermodynamic consistency, and (iii) incorporates the inhomogeneous distribution of sorbates at the interface. Number correlations from the fluctuation theory provide a unified quantification of sorbate-surface and sorbate-sorbate interactions in the language common to the liquid theory. From the gradient of the isotherm alone, our theory can reveal the sorbate interactions that underlie selective sorption. The multicomponent ABC isotherm, derived from our theory, can successfully model gas-mixture adsorption without the need for implicit functions to maintain thermodynamic consistency between activity and adsorption. Our AB isotherm captures sorption selectivity while retaining the mathematical simplicity of the Extended Langmuir model. Handling attractive and repulsive interactions between sorbates was shown to be crucial, which was beyond the reach of previous isotherm models.
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BibTeX
@article{shimizu2026separation,
title = {{Gas Separation by Sorption: A Statistical Thermodynamic Fluctuation Theory.}},
author = {Seishi Shimizu and Nobuyuki Matubayasi},
journal = {Langmuir : the ACS journal of surfaces and colloids},
year = {2026},
month = sep,
doi = {10.1021/acs.langmuir.6c02601},
url = {https://europepmc.org/article/MED/42915188},
note = {CC BY},
}
RIS
TY - JOUR
TI - Gas Separation by Sorption: A Statistical Thermodynamic Fluctuation Theory.
AU - Seishi Shimizu
AU - Nobuyuki Matubayasi
PY - 2026
DA - 2026/09/01
JO - Langmuir : the ACS journal of surfaces and colloids
DO - 10.1021/acs.langmuir.6c02601
UR - https://europepmc.org/article/MED/42915188
AB - To understand how gas mixtures can be separated and purified by adsorption, we present a novel theory of selective sorption that (i) is applicable to any interfacial geometry and porosity, (ii) synthesizes sorption and activity with built-in thermodynamic consistency, and (iii) incorporates the inhomogeneous distribution of sorbates at the interface. Number correlations from the fluctuation theory provide a unified quantification of sorbate-surface and sorbate-sorbate interactions in the language common to the liquid theory. From the gradient of the isotherm alone, our theory can reveal the sorbate interactions that underlie selective sorption. The multicomponent ABC isotherm, derived from our theory, can successfully model gas-mixture adsorption without the need for implicit functions to maintain thermodynamic consistency between activity and adsorption. Our AB isotherm captures sorption selectivity while retaining the mathematical simplicity of the Extended Langmuir model. Handling attractive and repulsive interactions between sorbates was shown to be crucial, which was beyond the reach of previous isotherm models.
SN - 0743-7463
SN - 1520-5827
ER -