Adsorpce cetylpyridinia a cetyltrimethylammonia na povrchu montmorillonitu: Molekulární modelování a experiment

Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27360%2F07%3A00016178" target="_blank" >RIV/61989100:27360/07:00016178 - 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
Analysis of the Cetylpyridinium and Cetyltrimethylammonium Cations Adsorption on Montmorillonite Surface; Molecular Modelling and Experiment.
Popis výsledku v původním jazyce
Adsorption of cetylpyridinium (CP) cations and cetyltrimethylammonium (CTA) cations on Na-montmorillonite (MMT) was studied. The molecular modelling was calculated in Cerius2. Alkyl chains were placed in different positions (parallel, perpendicular, tilted) with respect to a silicate layer. . A bulk of 55 water and 17 ethanol molecules was placed into these models with different distances from the silicate layer. The results showed that the interaction energies between CTA and the MMT surface are lowerthan for CP.
Název v anglickém jazyce
Analysis of the Cetylpyridinium and Cetyltrimethylammonium Cations Adsorption on Montmorillonite Surface; Molecular Modelling and Experiment.
Popis výsledku anglicky
Adsorption of cetylpyridinium (CP) cations and cetyltrimethylammonium (CTA) cations on Na-montmorillonite (MMT) was studied. The molecular modelling was calculated in Cerius2. Alkyl chains were placed in different positions (parallel, perpendicular, tilted) with respect to a silicate layer. . A bulk of 55 water and 17 ethanol molecules was placed into these models with different distances from the silicate layer. The results showed that the interaction energies between CTA and the MMT surface are lowerthan for CP.

Rok uplatnění
2007
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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