تقرير
Phase diagram and structural properties of a simple model for one-patch particles
| العنوان: | Phase diagram and structural properties of a simple model for one-patch particles |
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| المؤلفون: | Giacometti, Achille, Lado, Fred, Largo, Julio, Pastore, Giorgio, Sciortino, Francesco |
| المصدر: | J. Chem. Phys. 131, 174114-1/174114-13 (2009) |
| سنة النشر: | 2009 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics |
| الوصف: | 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, 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. Comment: 27 pages, 10 figures, J. Chem. Phys. in press |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1063/1.3256002 |
| URL الوصول: | http://arxiv.org/abs/0910.1681 |
| رقم الأكسشن: | edsarx.0910.1681 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1063/1.3256002 |
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