Detail publikace

Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Depletion versus Adsorption

JANEČEK, J., NETZ, R.R.

Originální název

Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Depletion versus Adsorption

Typ

článek v časopise - ostatní, Jost

Jazyk

angličtina

Originální abstrakt

The structure of the water-solid interface for widely varying surface properties is investigated with Monte Carlo simulations using the SPC/E water model. Of particular interest is the relation between the wetting coefficient as a measure of the hydrophobicity of the substrate and the density depletion close to the solid surface. The substrates are modeled as rigid ordered lattices of sites that interact with water molecules through an orientation-independent Lennard-Jones potential of varying strength. Hydrophilic character is obtained by addition of polar hydroxyl groups on the substrate surface, and the influence of density, spatial distribution, and angular orientation of the polar groups on the interfacial water structure is studied.

Klíčová slova

MOLECULAR-DYNAMICS SIMULATION; INTERMOLECULAR POTENTIAL FUNCTIONS; UNITED-ATOM DESCRIPTION; MONTE-CARLO-SIMULATION; COMPUTER-SIMULATION; PHASE-EQUILIBRIA; HYDRATION FORCES; CONTACT-ANGLE; LIQUID/LIQUID INTERFACES; TRANSFERABLE POTENTIALS

Autoři

JANEČEK, J., NETZ, R.R.

Rok RIV

2007

Vydáno

31. 7. 2007

Nakladatel

ACS

Místo

Washington DC USA

ISSN

0743-7463

Periodikum

Langmuir

Ročník

23

Číslo

16

Stát

Spojené státy americké

Strany od

8417

Strany do

8429

Strany počet

13

BibTex

@article{BUT44264,
  author="Jiří {Janeček}",
  title="Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Depletion versus Adsorption",
  journal="Langmuir",
  year="2007",
  volume="23",
  number="16",
  pages="8417--8429",
  issn="0743-7463"
}