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Title: Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm

Abstract

This work addresses spreading pressure dependence of Real Adsorbed Solution Theory (RAST) for mixed-gas adsorption equilibria using generalized Langmuir (gL) isotherm. Considering vacant sites as an integral part of competitive multicomponent adsorption on a constant adsorbent surface area, the gL isotherm properly accounts for surface heterogeneity and loading, adsorbate composition, and temperature dependence. We show the spreading pressure dependence of adsorbate activity coefficient expression in the RAST framework can be generated from the gL isotherm. The procedure is illustrated with a spreading pressure dependent adsorption Nonrandom Furthermore, two-Liquid activity coefficient model, and the results are validated for ten binary mixed-gas adsorption equilibria systems including two highly nonideal azeotropic systems.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Texas Tech University, Lubbock, TX (United States)
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:
2222463
Grant/Contract Number:  
EE0007888
Resource Type:
Accepted Manuscript
Journal Name:
Adsorption
Additional Journal Information:
Journal Volume: 29; Journal Issue: 7-8; Journal ID: ISSN 0929-5607
Publisher:
Springer Nature
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; adsorption Nonrandom Two-Liquid model; generalized Langmuir isotherm; mixed-gas adsorption equilibria; real adsorbed solution theory; spreading pressure dependence

Citation Formats

Vyawahare, Pradeep, Hamid, Usman, Sees, Michael D., and Chen, Chau-Chyun. Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm. United States: N. p., 2023. Web. doi:10.1007/s10450-023-00414-x.
Vyawahare, Pradeep, Hamid, Usman, Sees, Michael D., & Chen, Chau-Chyun. Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm. United States. https://doi.org/10.1007/s10450-023-00414-x
Vyawahare, Pradeep, Hamid, Usman, Sees, Michael D., and Chen, Chau-Chyun. Sat . "Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm". United States. https://doi.org/10.1007/s10450-023-00414-x.
@article{osti_2222463,
title = {Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm},
author = {Vyawahare, Pradeep and Hamid, Usman and Sees, Michael D. and Chen, Chau-Chyun},
abstractNote = {This work addresses spreading pressure dependence of Real Adsorbed Solution Theory (RAST) for mixed-gas adsorption equilibria using generalized Langmuir (gL) isotherm. Considering vacant sites as an integral part of competitive multicomponent adsorption on a constant adsorbent surface area, the gL isotherm properly accounts for surface heterogeneity and loading, adsorbate composition, and temperature dependence. We show the spreading pressure dependence of adsorbate activity coefficient expression in the RAST framework can be generated from the gL isotherm. The procedure is illustrated with a spreading pressure dependent adsorption Nonrandom Furthermore, two-Liquid activity coefficient model, and the results are validated for ten binary mixed-gas adsorption equilibria systems including two highly nonideal azeotropic systems.},
doi = {10.1007/s10450-023-00414-x},
journal = {Adsorption},
number = 7-8,
volume = 29,
place = {United States},
year = {Sat Oct 28 00:00:00 EDT 2023},
month = {Sat Oct 28 00:00:00 EDT 2023}
}

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Works referenced in this record:

Pure Gas Isotherms
journal, July 1950

  • Lewis, W. K.; Gilliland, E. R.; Chertow, B.
  • Industrial & Engineering Chemistry, Vol. 42, Issue 7
  • DOI: 10.1021/ie50487a023

Heuristic design of pressure swing adsorption: a preliminary study
journal, September 2003


Basic Research Needs for Design of Adsorptive Gas Separation Processes
journal, August 2006

  • Sircar, Shivaji
  • Industrial & Engineering Chemistry Research, Vol. 45, Issue 16
  • DOI: 10.1021/ie051056a

Needs, status, techniques and problems with binary gas adsorption experiments
journal, July 1998


Thermodynamic Consistency for Binary Gas Adsorption Equilibria
journal, October 1999


An extended Langmuir model for adsorption of gas mixtures on heterogeneous surfaces
journal, March 1990


Thermodynamics of mixed-gas adsorption
journal, January 1965


Adsorption Equilibrium of the Mixture CH 4 + N 2 + H 2 on Activated Carbon
journal, January 2005

  • Wu, Qin; Zhou, Li; Wu, Jiaquan
  • Journal of Chemical & Engineering Data, Vol. 50, Issue 2
  • DOI: 10.1021/je049643a

Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory
journal, August 2015

  • Walton, Krista S.; Sholl, David S.
  • AIChE Journal, Vol. 61, Issue 9
  • DOI: 10.1002/aic.14878

Multicomponent adsorption calculations based on adsorbed solution theory
journal, May 1996

  • Yun, Jeong Ho; Park, Heung Chul; Moon, Hee
  • Korean Journal of Chemical Engineering, Vol. 13, Issue 3
  • DOI: 10.1007/bf02705946

Thermodynamics of adsorption in porous materials
journal, January 2002


Activity coefficients of adsorbed mixtures
journal, January 1995

  • Talu, Orhan; Li, Jianmin; Myers, Alan L.
  • Adsorption, Vol. 1, Issue 2
  • DOI: 10.1007/bf00704999

Role of adsorbent heterogeneity on mixed gas adsorption
journal, May 1991

  • Sircar, Shivaji
  • Industrial & Engineering Chemistry Research, Vol. 30, Issue 5
  • DOI: 10.1021/ie00053a027

Influence of adsorbate size and adsorbent heterogeneity of IAST
journal, May 1995


Multicomponent adsorption equilibria of nonideal mixtures
journal, August 1986


Modeling of adsorption isotherm of a binary mixture with real adsorbed solution theory and nonrandom two-liquid model
journal, November 2010

  • Sochard, Sabine; Fernandes, Nuno; Reneaume, Jean-Michel
  • AIChE Journal, Vol. 56, Issue 12
  • DOI: 10.1002/aic.12220

Thermodynamic modeling of binary and ternary adsorption on silica gel
journal, May 2001


Activity coefficient models for accurate prediction of adsorption azeotropes
journal, June 2021


Equilibrium adsorption of methane, ethane, ethylene, and propylene and their mixtures on activated carbon
journal, April 1989

  • Costa, E.; Calleja, G.; Marron, C.
  • Journal of Chemical & Engineering Data, Vol. 34, Issue 2
  • DOI: 10.1021/je00056a003

Local composition activity coefficient model for mixed-gas adsorption equilibria
journal, June 2019


Spreading pressure dependent equation for adsorbate phase activity coefficients
journal, January 1987


Rigorous thermodynamic treatment of gas adsorption
journal, November 1988


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
  • DOI: 10.1002/aic.17663

Estimation of isosteric heat of adsorption from generalized Langmuir isotherm
journal, January 2023


Comparison of Heterogeneous Langmuirian Models for Mixed-Gas Adsorption Equilibria
journal, May 2023

  • Sees, Michael D.; Hamid, Usman; Otulana, Yinka
  • Industrial & Engineering Chemistry Research, Vol. 62, Issue 18
  • DOI: 10.1021/acs.iecr.3c00318

Adsorption of gas mixtures: Effect of energetic heterogeneity
journal, March 1988


Prediction of mixed‐gas adsorption equilibria from pure component adsorption isotherms
journal, May 2020

  • Tun, Hla; Chen, Chau‐Chyun
  • AIChE Journal, Vol. 66, Issue 7
  • DOI: 10.1002/aic.16243

A comprehensive technique for equilibrium calculations in adsorbed mixtures: the generalized FastIAS method
journal, November 1988

  • O'Brien, James A.; Myers, Alan L.
  • Industrial & Engineering Chemistry Research, Vol. 27, Issue 11
  • DOI: 10.1021/ie00083a021

Ideal adsorbed solution theory solved with direct search minimisation
journal, December 2014


Robust algorithms for the solution of the ideal adsorbed solution theory equations
journal, November 2014

  • Mangano, Enzo; Friedrich, Daniel; Brandani, Stefano
  • AIChE Journal, Vol. 61, Issue 3
  • DOI: 10.1002/aic.14684

Mixed-gas adsorption
journal, May 2001


Physical adsorption of gases: the case for absolute adsorption as the basis for thermodynamic analysis
journal, March 2014


Equilibrium Adsorption Isotherms of Pure N 2 and O 2 and Their Binary Mixtures on LiLSX Zeolite: Experimental Data and Thermodynamic Analysis
journal, April 2014

  • Wu, Chin-Wen; Kothare, Mayuresh V.; Sircar, Shivaji
  • Industrial & Engineering Chemistry Research, Vol. 53, Issue 17
  • DOI: 10.1021/ie500268s

An activity-based formulation for Langmuir adsorption isotherm
journal, November 2019


The Estimation of Parameters in Nonlinear, Implicit Models
journal, May 1973