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

Hydrophobic Interactions of Xenon by Monte Carlo Simulations

Orkid Coskuner / Ulrich K. Deiters

Citation Information: Zeitschrift für Physikalische Chemie. Volume 221, Issue 6, Pages 785–799, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2007.221.6.785, September 2009

Publication History

Received:
2006-11-24
Accepted:
2007-02-27
Published Online:
2009-09-25

Hydrophobic interactions of xenon atoms dissolved in liquid water were studied by NpT Monte Carlo simulations in the temperature range 298.15 to 333K and at ambient pressure. Structural properties of dilute xenon solutions were calculated and compared to those of bulk water in order to show the influence of the hydrophobic solute. It was found that the xenon atoms tend to aggregate with increasing temperature. At low temperatures the aggregates are predominantly solvent-separated pairs; at higher temperatures the quota of contact pairs increases. Furthermore, the residual chemical potentials of xenon and water were calculated with different methods; it was found that the Widom insertion methods works best for this system. For the thermodynamic conditions of this work, the residual chemical potential of water in the presence of xenon was found to be a linear function of temperature.

Keywords: Xenon; Hydrophobic Interactions; Chemical Potential; Water; Monte Carlo 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.

[1]
L. Bläckberg, E. Metsanurk, A. Tamm, A. Aabloo, and M. Klintenberg
Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2014, Volume 759, Page 10
[3]
Olivia Wise-Scira, Liang Xu, George Perry, and Orkid Coskuner
JBIC Journal of Biological Inorganic Chemistry, 2012, Volume 17, Number 6, Page 927
[4]
Paolo De Gregorio, Jonathan C. Toledo, and B. Widom
Molecular Physics, 2008, Volume 106, Number 2-4, Page 419
[5]
Marco A. A. Barbosa and B. Widom
The Journal of Chemical Physics, 2010, Volume 132, Number 21, Page 214506
[6]
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

Comments (0)

Please log in or register to comment.