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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F09%3A00206430" target="_blank" >RIV/00216208:11320/09:00206430 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 bythis 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 les

Název v anglickém jazyce

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

Popis výsledku anglicky

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 bythis 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 les

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CI - Průmyslová chemie a chemické inženýrství

OECD FORD obor

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Projekt

<a href="/cs/project/GA205%2F08%2F0869" target="_blank" >GA205/08/0869: Jílové minerály jako hostitelské matrice pro funkční nanostruktury</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2009

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Modeling

ISSN

1610-2940

e-ISSN

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Svazek periodika

2009

Číslo periodika v rámci svazku

15

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

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Kód UT WoS článku

000269857500009

EID výsledku v databázi Scopus

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