Molecular Arrangement and Surface Tension of Alcohol Solutions

This study investigated the relationship between molecular arrangement and surface tension of water mixtures with methanol and ethanol. It has been found that the molecular structure of interfacial zone was deterministically correlated to alcohol concentration. From the water dipole moment, an inter...

Full description

Saved in:
Bibliographic Details
Published in:The journal of physical chemistry. B 2016-04, Vol.120 (16), p.3914-3919
Main Authors: Phan, Chi M, Nguyen, Cuong V, Pham, Thuy T. T
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:This study investigated the relationship between molecular arrangement and surface tension of water mixtures with methanol and ethanol. It has been found that the molecular structure of interfacial zone was deterministically correlated to alcohol concentration. From the water dipole moment, an interfacial boundary was defined. The boundary then was used to calculate the water and alcohols in the interfacial zone, which was then used to calculate the surface tension. The prediction from simulated data closely followed the experimental data. The analysis revives the relevance of the molecular arrangement, which had been the main focus in the early 20th century, in quantification of surface energy. The results can supplement the current thermodynamic analysis to correctly predict the surface adsorption.
ISSN:1520-6106
1520-5207
DOI:10.1021/acs.jpcb.6b01209