Published October 1, 2009 | Version v1
Journal article

Structural and dynamical properties of water confined between two hydrophilic surfaces

  • 1. Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)
  • 2. Depto. de Fisica - CAC, Comision Nacional de Energia Atomica, Av. Gral Paz 1499, (1650) San Martin, Buenos Aires (Argentina)

Description

The properties of water in the vicinity of surfaces and under confinement have been extensively studied because of the relevance of a quantitative understanding of many processes that not only take place in biological systems, like cells, membranes and microemulsions, but also in many others such as confined water in rocks, ionic channels and interestellar matter. In this work we perform molecular dynamic calculations of the nanoscopic structure of TIP5P model water confined between two hydrophilic surfaces. We calculate the diffusion coefficients and the atomic density profile of water molecules and polar ions in the system as a function of the number of water molecules per amphiphilic (nW). We also study the dependence of the water layer thickness and the profiles of water dipole orientation with this parameter.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.physb.2009.06.107

Additional details

Identifiers

DOI
10.1016/j.physb.2009.06.107;
PII
S0921-4526(09)00474-8;

Publishing Information

Journal Title
Physica. B, Condensed Matter
Journal Volume
404
Journal Issue
18
Journal Page Range
p. 2883-2886
ISSN
0921-4526
CODEN
PHYBE3

Conference

Title
Current trends and novel materials
Acronym
Workshop on at the frontiers of condensed matter IV
Dates
9-12 Dec 2008
Place
Buenos Aires (Argentina)

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
41085313
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CELL MEMBRANES; CONFINEMENT; DENSITY; DIFFUSION; DIPOLES; IONS; LAYERS; MICROEMULSIONS; MOLECULAR DYNAMICS METHOD; MOLECULES; SIMULATION; SURFACES; THICKNESS; WATER
Descriptors DEC
CALCULATION METHODS; CELL CONSTITUENTS; CHARGED PARTICLES; COLLOIDS; DIMENSIONS; DISPERSIONS; EMULSIONS; HYDROGEN COMPOUNDS; MEMBRANES; MULTIPOLES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES

Optional Information

Copyright
Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.