A Molecular Mechanism of Hysteresis in Clay Swelling | Zendy

Tambach Tim J. | Zendy; Bolhuis Peter G. | Zendy; Smit Berend | Zendy

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A Molecular Mechanism of Hysteresis in Clay Swelling

Author(s) -

Tambach Tim J.,

Bolhuis Peter G.,

Smit Berend

Publication year - 2004

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200353612

Subject(s) - hysteresis , swelling , clay minerals , molecular dynamics , materials science , mechanism (biology) , layer (electronics) , geotechnical engineering , geology , mineralogy , chemical physics , composite material , chemistry , condensed matter physics , computational chemistry , physics , quantum mechanics

Feats of clay : Molecular simulations are used to study the mechanism of clay‐swelling hysteresis. A free‐energy barrier separating stable layered hydrates is found to be the origin of this hysteresis. The simulations are also used to predict that changing the external pressure on a clay mineral layer can induce hysteresis (see picture).

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