Reconciliation of Gibbs Excess Adsorption Thermodynamics and Poromechanics of Nanoporous Materials

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

Abstract

The paper presents a rigorous thermodynamic derivation of the augmented Biot equations for a general case of adsorbing fluid mixture confined to nanoporous solid. The proposed approach extends the Gibbs excess adsorption thermodynamics to poroelastic nanomaterials. The augmented Biot equations contain additional terms associated with the adsorption stress, which represents the derivative of the excess grand thermodynamic potential of the adsorbed phase. The adsorption stress depends on the geometrical specifics of the material under consideration (pore size, shape, etc.) and the potential of fluid-solid intermolecular interactions. It can be calculated by using the density functional theory and/or Monte Carlo simulations, as well as empirical or classical thermodynamics theories. Special attention is paid to the specifics of adsorption deformation in micropores of molecular dimensions and the interpretation of the strain measurements in situ XRD and dilatometry experiments. Examples include micro- and mesoporous carbons and metal-organic frameworks.

Original languageEnglish (US)
Title of host publicationPoromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics
EditorsPatrick Dangla, Jean-Michel Pereira, Siavash Ghabezloo, Matthieu Vandamme
PublisherAmerican Society of Civil Engineers (ASCE)
Pages56-63
Number of pages8
ISBN (Electronic)9780784480779
DOIs
StatePublished - 2017
Event6th Biot Conference on Poromechanics, Poromechanics 2017 - Paris, France
Duration: Jul 9 2017Jul 13 2017

Publication series

NamePoromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics

Other

Other6th Biot Conference on Poromechanics, Poromechanics 2017
CountryFrance
CityParis
Period7/9/177/13/17

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Mechanics of Materials
  • Acoustics and Ultrasonics

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