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  • A combination of experiments and molecular dynamic simulations has been applied to elucidate the nature of water on organic self-assembled monolayers (SAMs) before and after oxidation. SAMs mimic organics adsorbed on environmental urban surfaces. Water on SAM surfaces was measured at equilibrium as a function of relative humidity, using transmission Fourier transform infrared (FTIR) spectroscopy at 1 atm and 22 +/- 1 °C. The SAMs included C18 and C8 alkanes, as well as the C8 terminal alkene before and after oxidation with either KMnO4 solution or gaseous O3. MD simulations with hydrogen bond analysis were used to elucidate the structure of water on SAM surfaces.
  • A combination of experiments and molecular dynamic simulations has been applied to elucidate the nature of water on organic self-assembled monolayers (SAMs) before and after oxidation. SAMs mimic organics adsorbed on environmental urban surfaces. Water on SAM surfaces was measured at equilibrium as a function of relative humidity, using transmission Fourier transform infrared (FTIR) spectroscopy at 1 atm and 22 +/- 1 °C. The SAMs included C18 and C8 alkanes, as well as the C8 terminal alkene before and after oxidation with either KMnO4 solution or gaseous O3. MD simulations with hydrogen bond analysis were used to elucidate the structure of water on SAM surfaces. (en)
  • Pomocí kombinace experimentu a molekulově dynamických simulací byla studována povaha vody na samouspořádaných monovrstvách (SAM) před a po oxidaci. SAM představují model oraganických povlaků adsorbovaných na površích v městských aglomeracích, které jsou v kontaktu s prostředím. Voda na SAM površích byla měřena v rovnováze v závislosti na relativní vlhkosti pomocí transmisní FTIR spektroskopie při tlaku 1 atm a teplotě 22 +/- 1 °C. Vrstvy SAM byly tvořeny C18 a C8 alkany, a dále C8 koncovými alkeny před a po oxidaci pomocí roztoku KMnO4 nebo plynného O3. MD simulace s analýzou vodíkových vazeb byly použity k pochopení struktury vody na SAM površích. (cs)
Title
  • Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces
  • Experimentální a teoretická charakterizace adsorbované vody na samouspořádaných monovrstvách: Porozumění interakci vody s atmosféricky relevantními povrchy (cs)
  • Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces (en)
skos:prefLabel
  • Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces
  • Experimentální a teoretická charakterizace adsorbované vody na samouspořádaných monovrstvách: Porozumění interakci vody s atmosféricky relevantními povrchy (cs)
  • Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces (en)
skos:notation
  • RIV/61388963:_____/09:00324729!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(1P05ME798), P(GA203/06/1488), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 10
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 314202
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/09:00324729
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • molecular dynamics; hydrophobic; hydrophilic (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [09A69FEB5500]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 113
http://linked.open...iv/tvurceVysledku
  • Roeselová, Martina
  • Szöri, Milan
  • Tobias, D. J.
  • Moussa, S. G.
  • Finlayson-Pitts, B. J.
  • Hemminger, J. C.
  • Grimm, R. L.
  • McIntire, T. M.
http://linked.open...ain/vavai/riv/wos
  • 000263974800021
http://linked.open...n/vavai/riv/zamer
issn
  • 1089-5639
number of pages
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