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  • Molecular modeling revealed the interlayer structure and differences in intercalation behaviour of Cetylpyridinium (CP) and Cetyltrimethylammonium (CTA) cations montmorillonite. CTA-montmorillonite exhibits significantly higher total sublimation energy and higher host-guest interaction energy than the CP-montmorillonite. The main difference between both intercalates is in charge distribution on the host layers and guest species, The charge transfer from the guest species to the host layer is higher in CTA-montmorillonite, than in CP-montmorillonites, and consequently the charge polarisation between the host and guest layers is much higher in CTA-montmorillonite. This leads to much stronger host-guest electrostatic interaction in case of CTA-montmorillonite. Results are established as a basic data for polymer/clay nanocomposite systems.
  • Molecular modeling revealed the interlayer structure and differences in intercalation behaviour of Cetylpyridinium (CP) and Cetyltrimethylammonium (CTA) cations montmorillonite. CTA-montmorillonite exhibits significantly higher total sublimation energy and higher host-guest interaction energy than the CP-montmorillonite. The main difference between both intercalates is in charge distribution on the host layers and guest species, The charge transfer from the guest species to the host layer is higher in CTA-montmorillonite, than in CP-montmorillonites, and consequently the charge polarisation between the host and guest layers is much higher in CTA-montmorillonite. This leads to much stronger host-guest electrostatic interaction in case of CTA-montmorillonite. Results are established as a basic data for polymer/clay nanocomposite systems. (en)
Title
  • Intercalated Clays - Precursors for Polymer-Clay Nanocomposites
  • Intercalated Clays - Precursors for Polymer-Clay Nanocomposites (en)
skos:prefLabel
  • Intercalated Clays - Precursors for Polymer-Clay Nanocomposites
  • Intercalated Clays - Precursors for Polymer-Clay Nanocomposites (en)
skos:notation
  • RIV/70883521:28110/03:63501159!RIV/2004/GA0/281104/N
http://linked.open.../vavai/riv/strany
  • CD
http://linked.open...avai/riv/aktivita
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  • P(GA106/02/0205), Z(MSM 265200015)
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  • 610868
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  • RIV/70883521:28110/03:63501159
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http://linked.open.../riv/klicovaSlova
  • Polymer Nanocomposites, Clay, Intercalated Structure (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [759411C489E3]
http://linked.open...v/mistoKonaniAkce
  • Melbourne, Astrálie
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  • Melbourne, Austrálie
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  • PPS-19 Melbourne
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  • Pospíšil, Miroslav
  • Čapková, Pavla
  • Kovářová, Lucie
  • Weiss, Zdeněk
  • Šimoník, Josef
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Polymer Processing Society
http://localhost/t...ganizacniJednotka
  • 28110
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