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Phase diagram and structural properties of a simple model for one-patch particles

J. Chem. Phys. 131, 174114 (2009); doi:10.1063/1.3256002

Published 6 November 2009

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Achille Giacometti,1 Fred Lado,2 Julio Largo,3 Giorgio Pastore,4 and Francesco Sciortino5
1Dipartimento di Chimica Fisica, Università di Venezia, Calle Larga S. Marta DD2137, I-30123 Venezia, Italy
2Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA
3Departamento de Física Aplicada, Universidad de Cantabria, Avenida de los Castros s/n, Santander 39005, Spain
4Dipartimento di Fisica Teorica, Università di Trieste and CNR-INFM Democritos, Strada Costiera 11, 34151 Trieste, Italy
5Dipartimento di Fisica and INFM-CNR-SOFT, Università di Roma La Sapienza, Piazzale A. Moro 2, 00185 Roma, Italy
We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are hard spheres, each of which carries a single identical, arbitrarily oriented and attractive circular patch on its surface; two spheres attract via a simple square-well potential only if the two patches on the spheres face each other within a specific angular range dictated by the size of the patch. For a ratio of attractive to repulsive surface of 0.8, we construct the RHNC fluid-fluid separation curve and compare with that obtained by Gibbs ensemble and grand canonical Monte Carlo simulations. We find that RHNC provides a quick and highly reliable estimate for the position of the fluid-fluid critical line. In addition, it gives a detailed (though approximate) description of all structural properties and their dependence on patch size. ©2009 American Institute of Physics
History: Received 29 May 2009; accepted 6 October 2009; published 6 November 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/174114/1
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KEYWORDS and PACS

Keywords
PACS
  • 81.30.Dz
    Phase diagrams of other materials
  • 61.20.Ja
    Computer simulation of liquid structure
  • 61.25.-f
    Studies of specific liquid structures
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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