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Estimation of isosteric heat of adsorption from generalized Langmuir isotherm

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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. 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.

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Acknowledgements

This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.

Funding

Funding support is provided by the U. S. Department of Energy under the grant DE-EE0007888. The authors gratefully acknowledge the financial support of the Jack Maddox Distinguished Engineering Chair Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation.

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Authors and Affiliations

  1. Department of Chemical Engineering, Texas Tech University, Lubbock, TX, 79409-3121, USA

    Usman Hamid, Pradeep Vyawahare & Chau-Chyun Chen

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  1. Usman Hamid
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Contributions

UH: conceptualization-equal, data curation-lead, formal analysis-lead, investigation-lead, methodology-equal, software-lead, validation-lead, visualization-lead, writing-original draft-lead. PV: conceptualization-supporting, data curation-supporting, formal analysis-supporting, methodology-supporting, writing-original draft-supporting. C-CC: conceptualization-equal, data curation-supporting, formal analysis-supporting, funding acquisition-lead, investigation-lead, methodology-equal, project administration-lead, resources-lead, software-supporting, supervision-lead, validation-equal, visualization-supporting, writing-original draft-supporting, writing-review & editing-lead.

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Correspondence to Chau-Chyun Chen.

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Hamid, U., Vyawahare, P. & Chen, CC. Estimation of isosteric heat of adsorption from generalized Langmuir isotherm. Adsorption 29, 45–64 (2023). https://doi.org/10.1007/s10450-023-00379-x

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