TY - GEN
T1 - Reconciliation of Gibbs Excess Adsorption Thermodynamics and Poromechanics of Nanoporous Materials
AU - Neimark, Alexander V.
N1 - Publisher Copyright:
© ASCE.
Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 2017
Y1 - 2017
N2 - 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.
AB - 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.
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U2 - 10.1061/9780784480779.008
DO - 10.1061/9780784480779.008
M3 - Conference contribution
AN - SCOPUS:85026295492
T3 - Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics
SP - 56
EP - 63
BT - Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics
A2 - Dangla, Patrick
A2 - Pereira, Jean-Michel
A2 - Ghabezloo, Siavash
A2 - Vandamme, Matthieu
PB - American Society of Civil Engineers (ASCE)
T2 - 6th Biot Conference on Poromechanics, Poromechanics 2017
Y2 - 9 July 2017 through 13 July 2017
ER -