The Orientation and Charge of Water at the Hydrophobic Oil
Droplet-Water Interface

J 2011

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

VÁCHA, Robert, S W RICK, P JUNGWIRTH, A G F DE BEER, H B DE AGUIAR et. al.

Základní údaje

Originální název

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

Autoři

VÁCHA, Robert, S W RICK, P JUNGWIRTH, A G F DE BEER, H B DE AGUIAR, J S SAMSON a S ROKE

Vydání

Journal of the American Chemical Society, Washington, DC., USA, American Chemical Society, 2011, 0002-7863

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10610 Biophysics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 9.907

Organizační jednotka

Středoevropský technologický institut

DOI

http://dx.doi.org/10.1021/ja202081x

UT WoS

000292715600048

Klíčová slova anglicky

SUM-FREQUENCY GENERATION; 2ND-HARMONIC GENERATION; AQUEOUS-SOLUTIONS; LIQUID WATER; VIBRATIONAL SPECTROSCOPY; MOLECULAR-DYNAMICS; HYDRATED PROTON; HYDROXIDE IONS; NEAT WATER; IN-WATER

Štítky

ne MU

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 12. 10. 2012 10:50, Olga Křížová

Anotace

V originále

We established the charge and structure of the oil/water interface by combining zeta-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed on the oil droplet/water interface. The average water orientation on a neat oil droplet/water interface is the same as the water orientation on a negatively charged interface. pH dependent experiments show, however, that there is no sign of selective adsorption of hydroxide ions. Molecular dynamics simulations, both with and without intermolecular charge transfer, show that the balance of accepting and donating hydrogen bonds is broken in the interfacial layer, leading to surface charging. This can account for the negative surface charge that is found in experiments.

Přiložené soubory

JACS2011-ChargeTransferOilWat.pdf

Požádat o autorskou verzi souboru

Citovat

VÁCHA, Robert, S W RICK, P JUNGWIRTH, A G F DE BEER, H B DE AGUIAR, J S SAMSON a S ROKE. The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface. Journal of the American Chemical Society. Washington, DC., USA: American Chemical Society, 2011, roč. 133, č. 26, s. 10204-10210. ISSN 0002-7863. Dostupné z: https://dx.doi.org/10.1021/ja202081x.

@article{957097,
   author = {Vácha, Robert and Rick, S W and Jungwirth, P and de Beer, A G F and de Aguiar, H B and Samson, J S and Roke, S},
   article_location = {Washington, DC., USA},
   article_number = {26},
   doi = {http://dx.doi.org/10.1021/ja202081x},
   keywords = {SUM-FREQUENCY GENERATION; 2ND-HARMONIC GENERATION; AQUEOUS-SOLUTIONS; LIQUID WATER; VIBRATIONAL SPECTROSCOPY; MOLECULAR-DYNAMICS; HYDRATED PROTON; HYDROXIDE IONS; NEAT WATER; IN-WATER},
   language = {eng},
   issn = {0002-7863},
   journal = {Journal of the American Chemical Society},
   title = {The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface},
   url = {http://dx.doi.org/10.1021/ja202081x},
   volume = {133},
   year = {2011}
}

TY  - JOUR
ID  - 957097
AU  - Vácha, Robert - Rick, S W - Jungwirth, P - de Beer, A G F - de Aguiar, H B - Samson, J S - Roke, S
PY  - 2011
TI  - The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface
JF  - Journal of the American Chemical Society
VL  - 133
IS  - 26
SP  - 10204-10210
EP  - 10204-10210
PB  - American Chemical Society
SN  - 00027863
KW  - SUM-FREQUENCY GENERATION
KW  - 2ND-HARMONIC GENERATION
KW  - AQUEOUS-SOLUTIONS
KW  - LIQUID WATER
KW  - VIBRATIONAL SPECTROSCOPY
KW  - MOLECULAR-DYNAMICS
KW  - HYDRATED PROTON
KW  - HYDROXIDE IONS
KW  - NEAT WATER
KW  - IN-WATER
UR  - http://dx.doi.org/10.1021/ja202081x
N2  - We established the charge and structure of the oil/water interface by combining zeta-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed on the oil droplet/water interface. The average water orientation on a neat oil droplet/water interface is the same as the water orientation on a negatively charged interface. pH dependent experiments show, however, that there is no sign of selective adsorption of hydroxide ions. Molecular dynamics simulations, both with and without intermolecular charge transfer, show that the balance of accepting and donating hydrogen bonds is broken in the interfacial layer, leading to surface charging. This can account for the negative surface charge that is found in experiments.
ER  -

VÁCHA, Robert, S W RICK, P JUNGWIRTH, A G F DE BEER, H B DE AGUIAR, J S SAMSON a S ROKE. The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface. \textit{Journal of the American Chemical Society}. Washington, DC., USA: American Chemical Society, 2011, roč.~133, č.~26, s.~10204-10210. ISSN~0002-7863. Dostupné z: https://dx.doi.org/10.1021/ja202081x.

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