Estimation of isosteric heat of adsorption from generalized Langmuir isotherm
Abstract
Simulation and design of adsorptive separation units demand accurate estimation of thermodynamic properties. Isosteric heat of adsorption as calculated from generalized Langmuir (gL) isotherm coupled with Clausius-Clapeyron expression for pure component and mixed-gas adsorption equilibria is presented in this work. The estimated isosteric heat of adsorption as functions of surface loading and composition is validated against the experimental data for various adsorption systems. Furthermore, the gL results are compared against classical Langmuir (cL) and Toth isotherm for pure components and with Ideal Adsorbed Solution Theory (IAST) for mixed-gas adsorption equilibria. Furthermore, the comparison highlights that gL outperforms cL and Toth for pure component adsorption and IAST for mixed-gas adsorption, and gL reliably captures the loading dependence and the composition dependence for isosteric heat of adsorption.
- Publication Date:
- Research Org.:
- RAPID Manufacturing Institute, New York, NY (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- OSTI Identifier:
- 2222462
- Grant/Contract Number:
- EE0007888
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Adsorption
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 1; Journal ID: ISSN 0929-5607
- Publisher:
- Springer Nature
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; aNRTL activity coefficient model; classical Langmuir isotherm; generalized Langmuir isotherm; ideal adsorbed solution theory; isosteric heat of adsorption; Toth isotherm
Citation Formats
Hamid, Usman, Vyawahare, Pradeep, and Chen, Chau-Chyun. Estimation of isosteric heat of adsorption from generalized Langmuir isotherm. United States: N. p., 2023.
Web. doi:10.1007/s10450-023-00379-x.
Hamid, Usman, Vyawahare, Pradeep, & Chen, Chau-Chyun. Estimation of isosteric heat of adsorption from generalized Langmuir isotherm. United States. https://doi.org/10.1007/s10450-023-00379-x
Hamid, Usman, Vyawahare, Pradeep, and Chen, Chau-Chyun. Mon .
"Estimation of isosteric heat of adsorption from generalized Langmuir isotherm". United States. https://doi.org/10.1007/s10450-023-00379-x. https://www.osti.gov/servlets/purl/2222462.
@article{osti_2222462,
title = {Estimation of isosteric heat of adsorption from generalized Langmuir isotherm},
author = {Hamid, Usman and Vyawahare, Pradeep and Chen, Chau-Chyun},
abstractNote = {Simulation and design of adsorptive separation units demand accurate estimation of thermodynamic properties. Isosteric heat of adsorption as calculated from generalized Langmuir (gL) isotherm coupled with Clausius-Clapeyron expression for pure component and mixed-gas adsorption equilibria is presented in this work. The estimated isosteric heat of adsorption as functions of surface loading and composition is validated against the experimental data for various adsorption systems. Furthermore, the gL results are compared against classical Langmuir (cL) and Toth isotherm for pure components and with Ideal Adsorbed Solution Theory (IAST) for mixed-gas adsorption equilibria. Furthermore, the comparison highlights that gL outperforms cL and Toth for pure component adsorption and IAST for mixed-gas adsorption, and gL reliably captures the loading dependence and the composition dependence for isosteric heat of adsorption.},
doi = {10.1007/s10450-023-00379-x},
journal = {Adsorption},
number = 1,
volume = 29,
place = {United States},
year = {Mon Jan 30 00:00:00 EST 2023},
month = {Mon Jan 30 00:00:00 EST 2023}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Isosteric Heats of Adsorption from Gas Mixtures
journal, February 1998
- Sundaram, Narasimhan; Yang, Ralph T.
- Journal of Colloid and Interface Science, Vol. 198, Issue 2
A simple and practical process modeling methodology for pressure swing adsorption
journal, April 2021
- Sees, Michael D.; Kirkes, Toni; Chen, Chau-Chyun
- Computers & Chemical Engineering, Vol. 147
Role of adsorbent heterogeneity on mixed gas adsorption
journal, May 1991
- Sircar, Shivaji
- Industrial & Engineering Chemistry Research, Vol. 30, Issue 5
Calorimetric Heats of Adsorption and Adsorption Isotherms. 1. O 2 , N 2 , Ar, CO 2 , CH 4 , C 2 H 6 , and SF 6 on Silicalite
journal, January 1996
- Dunne, J. A.; Mariwala, R.; Rao, M.
- Langmuir, Vol. 12, Issue 24
Isosteric Heat of Adsorption: Theory and Experiment
journal, August 1999
- Sircar, S.; Mohr, R.; Ristic, C.
- The Journal of Physical Chemistry B, Vol. 103, Issue 31
Calorimetric Heats of Adsorption and Adsorption Isotherms. 2. O 2 , N 2 , Ar, CO 2 , CH 4 , C 2 H 6 , and SF 6 on NaX, H-ZSM-5, and Na-ZSM-5 Zeolites
journal, January 1996
- Dunne, J. A.; Rao, M.; Sircar, S.
- Langmuir, Vol. 12, Issue 24
A New Calorimeter for Simultaneous Measurements of Loading and Heats of Adsorption from Gaseous Mixtures
journal, February 1999
- Siperstein, Flor; Gorte, Raymond J.; Myers, Alan L.
- Langmuir, Vol. 15, Issue 4
110th Anniversary : Comments on Heterogeneity of Practical Adsorbents
journal, May 2019
- Sircar, S.; Golden, T. C.
- Industrial & Engineering Chemistry Research, Vol. 58, Issue 25
Heat of adsorption on heterogeneous adsorbents
journal, October 2005
- Sircar, Shivaji
- Applied Surface Science, Vol. 252, Issue 3
Isosteric heat of adsorption from thermodynamic Langmuir isotherm
journal, January 2021
- Tun, Hla; Chen, Chau-Chyun
- Adsorption, Vol. 27, Issue 6
Measurement and Prediction of the Heat of Adsorption and Equilibrium Concentration of CO 2 on Zeolite 13X
journal, April 2018
- Son, Karen N.; Cmarik, Gregory E.; Knox, James C.
- Journal of Chemical & Engineering Data, Vol. 63, Issue 5
The Adsorption of Gases on Plane Surfaces of Glass, mica and Platinum.
journal, September 1918
- Langmuir, Irving
- Journal of the American Chemical Society, Vol. 40, Issue 9
Correlation of Multicomponent Gas Adsorption by the Dual-Site Langmuir Model. Application to Nitrogen/Oxygen Adsorption on 5A-Zeolite
journal, January 1996
- Mathias, Paul M.; Kumar, Ravi; Moyer, J. Douglas
- Industrial & Engineering Chemistry Research, Vol. 35, Issue 7
An activity-based formulation for Langmuir adsorption isotherm
journal, November 2019
- Chang, Chun-Kai; Tun, Hla; Chen, Chau-Chyun
- Adsorption, Vol. 26, Issue 3
Local composition activity coefficient model for mixed-gas adsorption equilibria
journal, June 2019
- Kaur, Harnoor; Tun, Hla; Sees, Michael
- Adsorption, Vol. 25, Issue 5
Excess properties and thermodynamics of multicomponent gas adsorption
journal, January 1985
- Sircar, Shivaji
- Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 81, Issue 7
Adsorption Equilibrium of Binary Methane/Ethane Mixtures in BPL Activated Carbon: Isotherms and Calorimetric Heats of Adsorption
journal, August 2004
- He, Yufeng; Yun, Jeong-Ho; Seaton, Nigel A.
- Langmuir, Vol. 20, Issue 16
Estimation of isosteric heats of adsorption of single gas and multicomponent gas mixtures
journal, July 1992
- Sircar, Shivaji
- Industrial & Engineering Chemistry Research, Vol. 31, Issue 7
Thermodynamics of mixed-gas adsorption
journal, January 1965
- Myers, A. L.; Prausnitz, J. M.
- AIChE Journal, Vol. 11, Issue 1, p. 121-127
Mixed-gas adsorption
journal, May 2001
- Siperstein, Flor R.; Myers, Alan L.
- AIChE Journal, Vol. 47, Issue 5
A modification of the Dubinin isotherm
journal, June 1993
- Sundaram, Narasimhan
- Langmuir, Vol. 9, Issue 6
Generalization of thermodynamic Langmuir isotherm for mixed‐gas adsorption equilibria
journal, March 2022
- Hamid, Usman; Vyawahare, Pradeep; Tun, Hla
- AIChE Journal, Vol. 68, Issue 6
Isosteric Heats of Gas and Liquid Adsorption
journal, August 2013
- Builes, Santiago; Sandler, Stanley I.; Xiong, Ruichang
- Langmuir, Vol. 29, Issue 33
Local compositions in thermodynamic excess functions for liquid mixtures
journal, January 1968
- Renon, Henri; Prausnitz, J. M.
- AIChE Journal, Vol. 14, Issue 1
The Estimation of Parameters in Nonlinear, Implicit Models
journal, May 1973
- Britt, H. I.; Luecke, R. H.
- Technometrics, Vol. 15, Issue 2
Calorimetric study of NH3 and CO2 adsorption on synthetic faujasites with Ca2+, Mg2+, and La3+ cations
journal, July 1991
- Khvoshchev, Sergej S.; Zverev, Alexander V.
- Journal of Colloid and Interface Science, Vol. 144, Issue 2
Gas adsorption microcalorimetry and modelling to characterise zeolites and related materials
journal, March 2005
- Llewellyn, Philip L.; Maurin, Guillaume
- Comptes Rendus Chimie, Vol. 8, Issue 3-4
Heat of Adsorption
journal, October 2002
- Sircar, S.; Cao, D. V.
- Chemical Engineering & Technology, Vol. 25, Issue 10
Heats of Adsorption of Pure SF 6 and CO 2 on Silicalite Pellets With Alumina Binder
journal, January 2001
- Cao, D. V.; Sircar, S.
- Industrial & Engineering Chemistry Research, Vol. 40, Issue 1
Calorimetric Heats of Adsorption and Adsorption Isotherms. 3. Mixtures of CH 4 and C 2 H 6 in Silicalite and Mixtures of CO 2 and C 2 H 6 in NaX
journal, August 1997
- Dunne, J. A.; Rao, M.; Sircar, S.
- Langmuir, Vol. 13, Issue 16
Cross-sectional areas of molecules adsorbed on solid surfaces
journal, April 1967
- McClellan, A. L.; Harnsberger, H. F.
- Journal of Colloid and Interface Science, Vol. 23, Issue 4
The cross-sectional areas of molecules adsorbed on solid surfaces
journal, October 1949
- Livingston, H. K.
- Journal of Colloid Science, Vol. 4, Issue 5