Activity coefficient models for accurate prediction of adsorption azeotropes - Adsorption

Clicks: 190
ID: 268334
2021
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Abstract
In this study seven adsorption azeotropes involving binary systems and zeolite-based adsorbents were systematically investigated. Pure component isotherms and mixed-gas adsorption data were taken from published literature except for the benzene–propene system on silicalite, which is newly presented in this work using molecular simulations. Experimental adsorbed phase composition and total amount adsorbed of the azeotropic systems were compared with the predictions of several models including: the ideal adsorbed solution theory (IAST), the heterogeneous ideal adsorbed solution theory (HIAST) and the real adsorbed solution theory (RAST) coupled with the 1-parameter Margules (1-Margules) and the van Laar equations. In the latter two models an additional loading parameter was incorporated in the expression of the excess Gibbs energy to account for the reduced grand potential dependency of the activity coefficients in the adsorbed phase. It was found that the HIAST and RAST–1-Margules models were able to predict the azeotropic behaviour of some systems with good accuracy. However, only the RAST–van Laar model consistently showed an average relative deviation below 3% compared to experimental data for both the adsorbed phase composition and the total amount adsorbed across the systems. This modified van Laar equation is therefore preferable in those engineering applications when the location of adsorption azeotropes is required with great accuracy and when there is lack of detailed characterization of the adsorbent that is needed to carry out molecular simulations.
Reference Key
luberti2021adsorptionactivity Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Mauro Luberti;Roberto Mennitto;Stefano Brandani;Giulio Santori;Lev Sarkisov;Mauro Luberti;Roberto Mennitto;Stefano Brandani;Giulio Santori;Lev Sarkisov;
Journal adsorption
Year 2021
DOI
doi:10.1007/s10450-021-00324-w
URL
https://link.springer.com/article/10.1007/s10450-021-00324-w/fulltext.html
Keywords
Heat and Mass Transfer engineering thermodynamics industrial chemistry/chemical engineering surfaces and interfaces thin films Heat and Mass Transfer engineering thermodynamics industrial chemistry/chemical engineering surfaces and interfaces thin films

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