Jump to ContentJump to Main Navigation
Show Summary Details

Founded in 1887

Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Ed. by Rademann, Klaus


IMPACT FACTOR 2015: 1.183

SCImago Journal Rank (SJR) 2015: 0.491
Source Normalized Impact per Paper (SNIP) 2015: 0.520
Impact per Publication (IPP) 2015: 1.133

Online
ISSN
2196-7156
See all formats and pricing

 


Select Volume and Issue

Issues

30,00 € / $42.00 / £23.00

Get Access to Full Text

Hydrophobic Interactions by Monte Carlo Simulations

Orkid Coskuner / Ulrich K. Deiters

Citation Information: Zeitschrift für Physikalische Chemie. Volume 220, Issue 3/2006, Pages 349–369, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2006.220.3.349, September 2009

Publication History

Received:
2005-12-13
Accepted:
2006-01-11
Published Online:
2009-09-25

Summary

The structural and thermodynamic properties of liquid water and of the dilute solutions of methane and ethane in water were calculated by Monte Carlo simulations in the temperature range 298 K to 318 K and 298 K to 333 K, respectively. The nonpolar molecules were modeled as one- and two-center Lennard–Jones particles; for the interaction potential of water a modified TIP5P model was used. The results indicate that the nonpolar solutes tend to aggregate with increasing temperature. Methane molecules preferably form water-separated pairs, even at higher temperatures, whereas for ethane contact pairs are more likely. For the thermodynamic conditions studied here, the residual chemical potential of water is a linear function of temperature.

Keywords: Hydrophobic Interactions; TIP5P; Chemical Potential; Water; Computer Simulation

Citing Articles

Here you can find all Crossref-listed publications in which this article is cited. If you would like to receive automatic email messages as soon as this article is cited in other publications, simply activate the “Citation Alert” on the top of this page.

[2]
Olivia Wise-Scira, Liang Xu, George Perry, and Orkid Coskuner
JBIC Journal of Biological Inorganic Chemistry, 2012, Volume 17, Number 6, Page 927
[3]
Orkid Coskuner and Ulrich K. Deiters
Zeitschrift für Physikalische Chemie, 2007, Volume 221, Number 6, Page 785
[4]
Marco A. A. Barbosa and B. Widom
The Journal of Chemical Physics, 2010, Volume 132, Number 21, Page 214506
[5]
Orkid Coskuner, Denis E. Bergeron, Luis Rincon, Jeffrey W. Hudgens, and Carlos A. Gonzalez
The Journal of Chemical Physics, 2008, Volume 129, Number 4, Page 045102
[6]
Orkid Coskuner
The Journal of Chemical Physics, 2007, Volume 127, Number 1, Page 015101

Comments (0)

Please log in or register to comment.