About: Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The surface area of various types of montmorillonites (MMT) with different values of layer charge plays a very important role in surface arrangement of metylene blue cations (MB). Photoluminescence measurements can be strongly or partially influenced by this surface arrangement of cations. For these reasons and on the basis of our previous results, molecular simulations were performed for various types of montmorillonites covered with metylene blue cations. Adsorption of methylene blue cations on Na- Wyoming MMT surface is different from Ca-Cheto MMT. In the case of Wyoming with a lower layer charge, MB cations lie parallel to the silicate layer for all investigated samples. On the other hand, Cheto surface is covered with a higher amount of MB cations. The results obtained from molecular modeling indicate that MB lies parallel to low loading case and become tilted with respect to layer fora higher loading. Moreover, a higher amount ofMB cations covering the silicate layer are much less energy-stable. The surface area of various types of montmorillonites (MMT) with different values of layer charge plays a very important role in surface arrangement of metylene blue cations (MB). Photoluminescence measurements can be strongly or partially influenced by this surface arrangement of cations. For these reasons and on the basis of our previous results, molecular simulations were performed for various types of montmorillonites covered with metylene blue cations. Adsorption of methylene blue cations on Na- Wyoming MMT surface is different from Ca-Cheto MMT. In the case of Wyoming with a lower layer charge, MB cations lie parallel to the silicate layer for all investigated samples. On the other hand, Cheto surface is covered with a higher amount of MB cations. The results obtained from molecular modeling indicate that MB lies parallel to low loading case and become tilted with respect to layer fora higher loading. Moreover, a higher amount ofMB cations covering the silicate layer are much less energy-stable. (en)
Title	Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue (en)
skos:prefLabel	Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue (en)
skos:notation	RIV/00216208:11320/09:00206430!RIV10-GA0-11320___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA205/08/0869), Z(MSM0021620835)
http://linked.open...iv/cisloPeriodika	15
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Pospíšil, Miroslav Malý, Petr Kovář, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	327237
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/09:00206430
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Molecular; modeling; surface; modification; Wyoming; Cheto; montmorillonite; methylene; blue (en)
http://linked.open.../riv/klicoveSlovo	modification modeling surface Molecular montmorillonite Cheto Wyoming methylene blue
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[78D74E9767BD]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Modeling
http://linked.open...in/vavai/riv/obor	CI
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Clay minerals as host matrices for functional nanostructures
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	2009
http://linked.open...iv/tvurceVysledku	Horáková, Petra Kovář, Petr Klika, Zdeněk Pospíšil, Miroslav Valášková, Marta Čapková, Pavla Malý, Petr
http://linked.open...ain/vavai/riv/wos	000269857500009
http://linked.open...n/vavai/riv/zamer	Fyzika molekulárních, makromolekulárních a biologických systémů
issn	1610-2940
number of pages	6 (xsd:int)
http://localhost/t...ganizacniJednotka	11320
is http://linked.open...avai/riv/vysledek of	Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue

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