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Title: An activity-based formulation for Langmuir adsorption isotherm

Abstract

This work presents an activity-based formulation for Langmuir adsorption isotherm. Treating adsorption as a chemical reaction between the gas molecule and the adsorption vacant site, the classical Langmuir isotherm model expresses the reaction in terms of the species concentrations. Designed to capture the surface heterogeneity, the proposed thermodynamic Langmuir isotherm model substitutes the species concentrations with the species activities and calculates the species activity coefficients with the adsorption non-random two-liquid activity coefficient model. Here, the resulting isotherm model accurately represents pure component adsorption isotherms for gases with wide varieties of adsorbents including silica gels, activated carbons, zeolites and metal organic frameworks at various temperatures. With three physically meaningful parameters, the model outperforms the classical Langmuir isotherm model for the 98 isotherms of 33 systems examined.

Authors:
 [1];  [2]; ORCiD logo [2]
  1. National Taiwan University, Taipei (Taiwan)
  2. Texas Tech Univ., 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), Energy Efficiency Office. Advanced Manufacturing Office
OSTI Identifier:
1642080
Grant/Contract Number:  
EE0007888
Resource Type:
Accepted Manuscript
Journal Name:
Adsorption
Additional Journal Information:
Journal Volume: 26; Journal Issue: 3; Journal ID: ISSN 0929-5607
Publisher:
Springer Nature
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Activity coefficient; adsorption; adsorption non-random two-liquid theory; Langmuir isotherm; thermodynamic Langmuir isotherm

Citation Formats

Chang, Chun-Kai, Tun, Hla, and Chen, Chau-Chyun. An activity-based formulation for Langmuir adsorption isotherm. United States: N. p., 2019. Web. https://doi.org/10.1007/s10450-019-00185-4.
Chang, Chun-Kai, Tun, Hla, & Chen, Chau-Chyun. An activity-based formulation for Langmuir adsorption isotherm. United States. https://doi.org/10.1007/s10450-019-00185-4
Chang, Chun-Kai, Tun, Hla, and Chen, Chau-Chyun. Wed . "An activity-based formulation for Langmuir adsorption isotherm". United States. https://doi.org/10.1007/s10450-019-00185-4. https://www.osti.gov/servlets/purl/1642080.
@article{osti_1642080,
title = {An activity-based formulation for Langmuir adsorption isotherm},
author = {Chang, Chun-Kai and Tun, Hla and Chen, Chau-Chyun},
abstractNote = {This work presents an activity-based formulation for Langmuir adsorption isotherm. Treating adsorption as a chemical reaction between the gas molecule and the adsorption vacant site, the classical Langmuir isotherm model expresses the reaction in terms of the species concentrations. Designed to capture the surface heterogeneity, the proposed thermodynamic Langmuir isotherm model substitutes the species concentrations with the species activities and calculates the species activity coefficients with the adsorption non-random two-liquid activity coefficient model. Here, the resulting isotherm model accurately represents pure component adsorption isotherms for gases with wide varieties of adsorbents including silica gels, activated carbons, zeolites and metal organic frameworks at various temperatures. With three physically meaningful parameters, the model outperforms the classical Langmuir isotherm model for the 98 isotherms of 33 systems examined.},
doi = {10.1007/s10450-019-00185-4},
journal = {Adsorption},
number = 3,
volume = 26,
place = {United States},
year = {2019},
month = {11}
}

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