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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).