Molecular Simulations of Montmorillonite Intercalated with Aluminum Complex Cations. Part II: Intercalation with Al(OH)3-Fragment Polymers

Čapková, Pavla; Driessen, Rene A.J.; Numan, Milco; Schenk, Henk; Weiss, Zdeněk; Klika, Zdeněk

dc.contributor.author	Čapková, Pavla
dc.contributor.author	Driessen, Rene A.J.
dc.contributor.author	Numan, Milco
dc.contributor.author	Schenk, Henk
dc.contributor.author	Weiss, Zdeněk
dc.contributor.author	Klika, Zdeněk
dc.date.accessioned	2007-08-22T08:08:36Z
dc.date.available	2007-08-22T08:08:36Z
dc.date.issued	1998
dc.identifier.citation	Clays and Clay Minerals. 1998, vol. 46, no. 3, p. 240-244.	en
dc.identifier.issn	0009-8604
dc.identifier.uri	http://hdl.handle.net/10084/62156
dc.language.iso	en	en
dc.publisher	Clay Minerals Society	en
dc.relation.ispartofseries	Clays and Clay Minerals	en
dc.relation.uri	https://doi.org/10.1346/CCMN.1998.0460303	en
dc.subject	Al-cation	en
dc.subject	gibbsite-like polymers	en
dc.subject	intercalation	en
dc.subject	molecular simulations	en
dc.subject	montmorillonite	en
dc.title	Molecular Simulations of Montmorillonite Intercalated with Aluminum Complex Cations. Part II: Intercalation with Al(OH)3-Fragment Polymers	en
dc.type	article	en
dc.identifier.location	Ve fondu ÚK	en
dc.description.abstract-en	The Crystal Packer module in the Cerius 2 modeling environment has been used to study the structure of montmorillonite intercalated with Al(OH)3-fragment (gibbsite-like) polymers. Basal spacings in gibbsite-like polymers arranged in 2 layers in the interlayer of montmorillonite varied in the range 19.54-20.13 Å, depending on the type and arrangement of AI(OH)3 fragments. The inhomogeneous distribution of intercalating species in the interlayer and, consequently, the turbostratic stacking of layers has been found for gibbsite-like polymers as well as in the case of Keggin cations (Capková et al. 1998). The dominating contribution to the total sublimation energy comes from electrostatic interactions for both intercalating species, gibbsite-like polymers and Keggin cations.	en
dc.identifier.doi	10.1346/CCMN.1998.0460303
dc.identifier.wos	000075523200003

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