Loughborough University
Leicestershire, UK
LE11 3TU
+44 (0)1509 263171
Loughborough University

Loughborough University Institutional Repository

Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/16001

Title: Nucleation of liquid droplets in a fluid with competing interactions
Authors: Archer, Andrew J.
Evans, Robert
Keywords: Nucleation
Free energy barrier
Competing interactions
Gas-liquid phase separation
Density functional theory
Issue Date: 2011
Publisher: © Taylor and Francis
Citation: ARCHER, A.J. and EVANS, R., 2011. Nucleation of liquid droplets in a fluid with competing interactions. Molecular Physics, 109 (23-24), pp. 2711 - 2722.
Abstract: Using a simple density functional theory (DFT) the height of the free energy barrier for forming a droplet of the liquid phase from the metastable gas phase is determined for a model colloidal fluid exhibiting competing interactions. The pair potential has a hard core of diameter σ, is attractive Yukawa at intermediate separations, and is repulsive Yukawa at large separations. It is found that even a very weak long-range repulsive tail in the pair potential has a profound effect on nucleation: increasing the amplitude of the repulsive Yukawa tail reduces significantly the free energy barrier height and therefore increases the liquid droplet nucleation rate. The method introduced for calculating the droplet density profile and free energy employs a fictitious external potential to stabilize a liquid droplet of the desired size, i.e. with a given excess number of particles. For the critical droplet, corresponding to an extremum of the grand potential, this fictitious potential is everywhere zero. The decay of the droplet density profiles into the bulk gas is examined. For a range of nucleation state points the DFT predicts exponentially damped, long wavelength oscillatory decay for systems exhibiting long-range repulsion, contrasting sharply with the monotonic decay found when the pair potential has only an attractive Yukawa piece. The changes in nucleation properties found for small amplitudes of the repulsive Yukawa tail reflect the propensity of the fluid to form modulated structures such as clusters or stripes
Description: This is an Accepted Manuscript of an article published in Molecular Physics on 27 July 2011, available online: http://www.tandfonline.com/10.1080/00268976.2011.597356
Version: Accepted for publication
DOI: 10.1080/00268976.2011.597356
URI: https://dspace.lboro.ac.uk/2134/16001
Publisher Link: http://dx.doi.org/10.1080/00268976.2011.597356
ISSN: 0026-8976
Appears in Collections:Published Articles (Maths)

Files associated with this item:

File Description SizeFormat
1106.4645v1.pdf3.47 MBAdobe PDFView/Open


SFX Query

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.