From Langmuir isotherm to Brunauer–Emmett–Teller isotherm

Vyawahare, Pradeep; Tun, Hla; Vaughn, Mark W.; Chen, Chau‐Chyun

doi:10.1002/aic.17523

Title: From Langmuir isotherm to Brunauer–Emmett–Teller isotherm

Journal Article · 18 November 2021 · AIChE Journal

DOI: https://doi.org/10.1002/aic.17523 · OSTI ID:1831339

Vyawahare, Pradeep ^[1]; Tun, Hla ^[1]; Vaughn, Mark W. ^[1];

^[1]

Department of Chemical Engineering Texas Tech University Lubbock Texas USA

Abstract Developed for multilayer adsorption, the Brunauer–Emmett–Teller ( BET) isotherm considers the adsorption of the first layer as an equilibrium chemical reaction between adsorbate molecules and adsorption sites and the adsorption of the second and subsequent layers as a condensation–evaporation process. Following the recent development of an activity‐based formulation for the Langmuir isotherm for monolayer adsorption, we present an activity‐based formulation for the BET isotherm in which species concentrations are replaced with species activities. Capturing the adsorbent surface heterogeneity for the adsorption of the first layer, the resulting thermodynamic BET isotherm is shown to accurately represent pure component adsorption isotherms over the relative pressure range of zero to unity or prior to the onset of capillary condensation. The thermodynamic BET isotherm should facilitate accurate estimation of monolayer adsorption capacity and the corresponding adsorbent surface area.

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: EE0007888

OSTI ID:: 1831339

Journal Information:: AIChE Journal, Journal Name: AIChE Journal Journal Issue: 3 Vol. 68; ISSN 0001-1541

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: United States

Language:: English

References (28)

Prediction of mixed‐gas adsorption equilibria from pure component adsorption isotherms Tun, Hla; Chen, Chau‐Chyun AIChE Journal, Vol. 66, Issue 7 https://doi.org/10.1002/aic.16243	journal	May 2020
Local compositions in thermodynamic excess functions for liquid mixtures Renon, Henri; Prausnitz, J. M. AIChE Journal, Vol. 14, Issue 1 https://doi.org/10.1002/aic.690140124	journal	January 1968
Biobutanol Separation with the Metal-Organic Framework ZIF-8 Cousin Saint Remi, Julien; Rémy, Tom; Van Hunskerken, Vincent ChemSusChem, Vol. 4, Issue 8 https://doi.org/10.1002/cssc.201100261	journal	July 2011
Local composition activity coefficient model for mixed-gas adsorption equilibria Kaur, Harnoor; Tun, Hla; Sees, Michael Adsorption, Vol. 25, Issue 5 https://doi.org/10.1007/s10450-019-00127-0	journal	June 2019
An activity-based formulation for Langmuir adsorption isotherm Chang, Chun-Kai; Tun, Hla; Chen, Chau-Chyun Adsorption, Vol. 26, Issue 3 https://doi.org/10.1007/s10450-019-00185-4	journal	November 2019
Isosteric heat of adsorption from thermodynamic Langmuir isotherm Tun, Hla; Chen, Chau-Chyun Adsorption, Vol. 27, Issue 6 https://doi.org/10.1007/s10450-020-00296-3	journal	January 2021
Is the bet equation applicable to microporous adsorbents? Rouquerol, J.; Llewellyn, P.; Rouquerol, F. Studies in Surface Science and Catalysis https://doi.org/10.1016/S0167-2991(07)80008-5	book	September 2007
Insights into the modeling of adsorption isotherm systems Foo, K. Y.; Hameed, B. H. Chemical Engineering Journal, Vol. 156, Issue 1 https://doi.org/10.1016/j.cej.2009.09.013	journal	January 2010
Characterization of metal-organic frameworks by water adsorption Küsgens, Pia; Rose, Marcus; Senkovska, Irena Microporous and Mesoporous Materials, Vol. 120, Issue 3, p. 325-330 https://doi.org/10.1016/j.micromeso.2008.11.020	journal	April 2009
Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1,3,5-tricarboxylate metal organic framework (Cu-BTC) compounds – CORRIGENDUM Wong-Ng, W.; Kaduk, J. A.; Siderius, D. L. Powder Diffraction, Vol. 30, Issue 3 https://doi.org/10.1017/S0885715615000330	journal	May 2015
Langmuir’s Theory of Adsorption: A Centennial Review Swenson, Hans; Stadie, Nicholas P. Langmuir, Vol. 35, Issue 16 https://doi.org/10.1021/acs.langmuir.9b00154	journal	March 2019
Adsorption of Gas Mixtures. Nitrogen-Oxygen on Anatase Arnold, James R. Journal of the American Chemical Society, Vol. 71, Issue 1 https://doi.org/10.1021/ja01169a029	journal	January 1949
Adsorption of Gases in Multimolecular Layers Brunauer, Stephen; Emmett, P. H.; Teller, Edward Journal of the American Chemical Society, Vol. 60, Issue 2, p. 309-319 https://doi.org/10.1021/ja01269a023	journal	February 1938
Ethylene. The Heat Capacity from 15°K. to the Boiling Point. The Heats of Fusion and Vaporization. The Vapor Pressure of the Liquid. The Entropy from Thermal Measurements Compared with the Entropy from Spectroscopic Data Egan, Clark J.; Kemp, J. D. Journal of the American Chemical Society, Vol. 59, Issue 7 https://doi.org/10.1021/ja01286a031	journal	July 1937
On a Theory of the van der Waals Adsorption of Gases Brunauer, Stephen; Deming, Lola S.; Deming, W. Edwards Journal of the American Chemical Society, Vol. 62, Issue 7 https://doi.org/10.1021/ja01864a025	journal	July 1940
The Adsorption of Gases on Plane Surfaces of Glass, mica and Platinum. Langmuir, Irving Journal of the American Chemical Society, Vol. 40, Issue 9 https://doi.org/10.1021/ja02242a004	journal	September 1918
Applicability of the BET Method for Determining Surface Areas of Microporous Metal−Organic Frameworks Walton, Krista S.; Snurr, Randall Q. Journal of the American Chemical Society, Vol. 129, Issue 27 https://doi.org/10.1021/ja071174k	journal	July 2007
Corrected Values for Boiling Points and Enthalpies of Vaporization of Elements in Handbooks Zhang, Yiming; Evans, Julian R. G.; Yang, Shoufeng Journal of Chemical & Engineering Data, Vol. 56, Issue 2 https://doi.org/10.1021/je1011086	journal	February 2011
High Adsorption Capacities and Two-Step Adsorption of Polar Adsorbates on Copper–Benzene-1,3,5-tricarboxylate Metal–Organic Framework Van Assche, Tom R. C.; Duerinck, Tim; Gutiérrez Sevillano, Juan José The Journal of Physical Chemistry C, Vol. 117, Issue 35 https://doi.org/10.1021/jp405509m	journal	August 2013
Capillary Critical Point of Argon, Nitrogen, Oxygen, Ethylene, and Carbon Dioxide in MCM-41 Morishige, K.; Fujii, H.; Uga, M. Langmuir, Vol. 13, Issue 13 https://doi.org/10.1021/la970079u	journal	June 1997
Hydrocarbonsadsorption on templated mesoporous materials: effect of the pore size, geometry and surface chemistry Russo, Patrícia A.; Carrott, M. Manuela L. Ribeiro; Carrott, Peter J. M. New J. Chem., Vol. 35, Issue 2 https://doi.org/10.1039/C0NJ00614A	journal	January 2011
On the Structure of a Catalyst Surface Sips, Robert The Journal of Chemical Physics, Vol. 16, Issue 5 https://doi.org/10.1063/1.1746922	journal	May 1948
On the Structure of a Catalyst Surface. II Sips, Robert The Journal of Chemical Physics, Vol. 18, Issue 8 https://doi.org/10.1063/1.1747848	journal	August 1950
Carbon Dioxide. The Heat Capacity and Vapor Pressure of the Solid. The Heat of Sublimation. Thermodynamic and Spectroscopic Values of the Entropy Giauque, W. F.; Egan, C. J. The Journal of Chemical Physics, Vol. 5, Issue 1 https://doi.org/10.1063/1.1749929	journal	January 1937
The Estimation of Parameters in Nonlinear, Implicit Models Britt, H. I.; Luecke, R. H. Technometrics, Vol. 15, Issue 2 https://doi.org/10.1080/00401706.1973.10489037	journal	May 1973
Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984) Sing, K. S. W. Pure and Applied Chemistry, Vol. 57, Issue 4, p. 603-619 https://doi.org/10.1351/pac198557040603	journal	January 1985
Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report) Thommes, Matthias; Kaneko, Katsumi; Neimark, Alexander V. Pure and Applied Chemistry, Vol. 87, Issue 9-10 https://doi.org/10.1515/pac-2014-1117	journal	October 2015
Adsorption, chemisorption, and catalysis Králik, Milan Chemical Papers, Vol. 68, Issue 12 https://doi.org/10.2478/s11696-014-0624-9	journal	January 2014

Similar Records

Generalized Brunauer–Emmett–Teller Isotherm for Mixed-Gas Multilayer Adsorption Equilibria

Journal Article · 2024 · Industrial and Engineering Chemistry Research · OSTI ID:3027621

Hamid, Usman; Chen, Chau-Chyun

Predicting Multicomponent Aqueous Phase Adsorption Equilibria of Organic Acids Using the Generalized Brunauer–Emmett–Teller Isotherm Model

Journal Article · 2025 · Industrial and Engineering Chemistry Research · OSTI ID:3027612

Hamid, Usman; Hsieh, Cheng-Ju; Wu, Haoran; +3 more

An activity-based formulation for Langmuir adsorption isotherm

Journal Article · 2019 · Adsorption · OSTI ID:1642080

Chang, Chun-Kai; Tun, Hla; Chen, Chau-Chyun

Title: From Langmuir isotherm to Brunauer–Emmett–Teller isotherm

Citation Formats

References (28)

Similar Records

Related Subjects