A new adsorption model based on generalized van der Waals partition function for the description of all types of adsorption isotherms

Kong, Lingli; Adidharma, Hertanto

doi:10.1016/j.cej.2019.122112

Title: A new adsorption model based on generalized van der Waals partition function for the description of all types of adsorption isotherms

Journal Article · Sat Jun 29 00:00:00 EDT 2019 · Chemical Engineering Journal

DOI:https://doi.org/10.1016/j.cej.2019.122112· OSTI ID:1801342

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Univ. of Wyoming, Laramie, WY (United States)

A new adsorption model is proposed based on the Generalized van der Waals partition function by introducing the concept of attractive region, which integrates the effects of the adsorption sites of adsorbent and represents pore space where adsorbates concentrate. A theoretical expression for the chemical potential of adsorbates in the attractive region is derived and used to calculate the adsorbate density in each attractive region. The model can generate all the six types of isotherms classified by the International Union of Pure and Applied Chemistry (IUPAC) report including those with hysteresis and is easy to use. It is a generalized model that can be applied to various types of porous materials. With the fitted parameters, the model can predict the adsorption isotherms even for adsorbents with wide pore size distributions. It also well captures the isotherm-type transition as temperature changes and can estimate the hysteresis when capillary condensation exists.

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Research Organization:: West Virginia Univ., Morgantown, WV (United States)

Sponsoring Organization:: USDOE Office of Policy and International Affairs (PO); USDOE

Grant/Contract Number:: PI0000017

OSTI ID:: 1801342

Alternate ID(s):: OSTI ID: 1531031

Journal Information:: Chemical Engineering Journal, Vol. 375; ISSN 1385-8947

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
isotherm types
hysteresis
Generalized van der Waals
square-well potential
adsorption

Title: A new adsorption model based on generalized van der Waals partition function for the description of all types of adsorption isotherms

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