Thermodynamics and Molecular Simulation of Adsorption-Induced Deformation of Nanoporous Materials


Prof. Alexander V. Neimark - Rutgers School of Engineering - Piscataway, NJ, USA

21 giugno 2024

Guest molecules adsorbed in pores of a solid body exert substantial stress on the
host matrix that causes its swelling or contraction depending on the nature of
host-guest interactions. This phenomenon of adsorption-induced deformation has
been known for a long time since Leonardo da Vinci’s studies of water sorption on
human hair. Various manifestations of adsorption-induced deformation are
currently actively explored with respect to the design of novel nanoporous
adsorbents and membranes for hydrocarbon separation, actuators, nanobumpers,
energy storage devices, as well as the enhancement of gas recovery from shales
and carbon dioxide sequestration in coal mines. Despite of the evident importance
of the deformation effects during adsorption-desorption cycles, a rigorous
theoretical description of this phenomenon is lacking.

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