Issue 28, 2013

A quantum chemical model for assessment of the temperature dependence in monolayer formation of amphiphiles at the air/water interface

Abstract

In the present study it is shown that parameters used in the framework of the model for the assessment of the threshold temperature of spontaneous clusterization of nonionic amphiphiles at the air/water interface (TCl) are independent of the amphiphile type used in the developed schemes. The temperature dependence of the clusterization Gibbs' energies of alkyl amides, α-amino acids and 2-hydroxycarboxylic acids obtained in the framework of several schemes is listed. The exploited schemes differ from each other by the degree of their theoretical validity. The values of the clusterization threshold temperature for substituted alkanes can be described by a fractionally linear function versus the number of CH⋯HC interactions in the framework of the simplest scheme taking into account the found corrections and agree well with available experimental data.

Graphical abstract: A quantum chemical model for assessment of the temperature dependence in monolayer formation of amphiphiles at the air/water interface

Article information

Article type
Communication
Submitted
23 Apr 2013
Accepted
28 May 2013
First published
31 May 2013

Phys. Chem. Chem. Phys., 2013,15, 11623-11628

A quantum chemical model for assessment of the temperature dependence in monolayer formation of amphiphiles at the air/water interface

Yu. B. Vysotsky, E. S. Fomina, V. B. Fainerman, D. Vollhardt and R. Miller, Phys. Chem. Chem. Phys., 2013, 15, 11623 DOI: 10.1039/C3CP51737C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements