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Statements

Subject Item
n2:RIV%2F70883521%3A28110%2F01%3A63500389%21RIV%2F2002%2FMSM%2F281102%2FN
rdf:type
n3:Vysledek skos:Concept
dcterms:description
Molecular mechanics and molecular dynamics simulations combined with X-ray powder diffraction were used in srtucture investigation of montmorillonite intercalated with cetylpyridinium(CP) and cetyltrimetylammonium (CTA) cations. Molecular modeling revealed the interlayer strusture and differences in intercalation behavior of CP and CTA cations in montmorillonite. The experimental and calculated values of basal spacing were in good agreement for both intercalates: in the case of CP-montmorillonite d(exp)= 20.59 A, d(calc) = 20,60A; for CTA montmorillonite d(exp) = 18,00 A, d(calc) = 18,10 A. CTA-montmorillonite exhibits significantly higher total sublimation energy and higher host-guest interation energy than the CP montmorillonite. The main difference between both intercalates is in charge distribution on the host layers and guest species. The charge transfet from the guest species to the host layer is higher in CTA-montmorillonite than in CP - montmorillonite, and consequently the charge polarizatio Molecular mechanics and molecular dynamics simulations combined with X-ray powder diffraction were used in srtucture investigation of montmorillonite intercalated with cetylpyridinium(CP) and cetyltrimetylammonium (CTA) cations. Molecular modeling revealed the interlayer strusture and differences in intercalation behavior of CP and CTA cations in montmorillonite. The experimental and calculated values of basal spacing were in good agreement for both intercalates: in the case of CP-montmorillonite d(exp)= 20.59 A, d(calc) = 20,60A; for CTA montmorillonite d(exp) = 18,00 A, d(calc) = 18,10 A. CTA-montmorillonite exhibits significantly higher total sublimation energy and higher host-guest interation energy than the CP montmorillonite. The main difference between both intercalates is in charge distribution on the host layers and guest species. The charge transfet from the guest species to the host layer is higher in CTA-montmorillonite than in CP - montmorillonite, and consequently the charge polarizatio
dcterms:title
Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and cetyltrimethylammonium : Molecular Simulations and XRD Analysis Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and cetyltrimethylammonium : Molecular Simulations and XRD Analysis
skos:prefLabel
Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and cetyltrimethylammonium : Molecular Simulations and XRD Analysis Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and cetyltrimethylammonium : Molecular Simulations and XRD Analysis
skos:notation
RIV/70883521:28110/01:63500389!RIV/2002/MSM/281102/N
n4:strany
127-131
n4:aktivita
n10:Z
n4:aktivity
Z(MSM 113200001), Z(MSM 265200015)
n4:cisloPeriodika
236
n4:dodaniDat
n14:2002
n4:domaciTvurceVysledku
n13:6009697 n13:9161287 n13:1195549
n4:druhVysledku
n16:J
n4:duvernostUdaju
n8:S
n4:entitaPredkladatele
n18:predkladatel
n4:idSjednocenehoVysledku
697466
n4:idVysledku
RIV/70883521:28110/01:63500389
n4:jazykVysledku
n17:eng
n4:klicovaSlova
Montmorillonite, cationic surfactants, intercalation, cetylpyridinium, cetyltrimetylpyridinium
n4:klicoveSlovo
n9:cetylpyridinium n9:cetyltrimetylpyridinium n9:Montmorillonite n9:cationic%20surfactants n9:intercalation
n4:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n4:kontrolniKodProRIV
[93FDB1FC620F]
n4:nazevZdroje
Jourmal of Colloid and Interfaces Science
n4:obor
n15:CD
n4:pocetDomacichTvurcuVysledku
3
n4:pocetTvurcuVysledku
5
n4:pocetUcastnikuAkce
0
n4:pocetZahranicnichUcastnikuAkce
0
n4:rokUplatneniVysledku
n14:2001
n4:svazekPeriodika
2001
n4:tvurceVysledku
Měřínská, Dagmar Šimoník, Josef Pospíšil, Miroslav Čapková, Pavla Maláč, Zdeněk
n4:zamer
n6:MSM%20265200015 n6:MSM%20113200001
s:issn
0021-9797
s:numberOfPages
5
n12:organizacniJednotka
28110