Structural and dynamical properties of water confined between two hydrophilic surfaces
Creators
- 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.2009.06.107Additional 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.