. . "Hor\u00E1kov\u00E1, Petra" . "7"^^ . . "Mal\u00FD, Petr" . . "\u010Capkov\u00E1, Pavla" . "1610-2940" . "Journal of Molecular Modeling" . . . "P(GA205/08/0869), Z(MSM0021620835)" . . "Val\u00E1\u0161kov\u00E1, Marta" . "[78D74E9767BD]" . "3"^^ . "Molecular; modeling; surface; modification; Wyoming; Cheto; montmorillonite; methylene; blue"@en . "Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue" . . . "RIV/00216208:11320/09:00206430" . "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 . "Kov\u00E1\u0159, Petr" . . "15" . . "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." . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . "11320" . "2009" . . . "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 . "327237" . "000269857500009" . "Posp\u00ED\u0161il, Miroslav" . . "6"^^ . . "Klika, Zden\u011Bk" . . . . . . "Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue"@en . "RIV/00216208:11320/09:00206430!RIV10-GA0-11320___" . . . .