Computing the phase diagram of binary mixtures: A patchy particle case study

We investigate the phase behaviour of 2D mixtures of bi-functional and three-functional patchy particles and 3D mixtures of bi-functional and tetra-functional patchy particles by means of Monte Carlo simulations and Wertheim theory. We start by computing the critical points of the pure systems and t...

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Detalhes bibliográficos
Autor principal: Rovigatti, Lorenzo (author)
Outros Autores: de las Heras, Daniel (author), Tavares, Jose (author), Gama, Margarida (author), SCIORTINO, Francesco (author)
Formato: article
Idioma:eng
Publicado em: 2013
Assuntos:
Directional Attractive Forces
Thermodynamic Perturbation-Theory
Monte-Carlo
Fluids
Transitions
Behavior
Gelation
Model
Hard
Texto completo:http://hdl.handle.net/10400.21/2866
País:Portugal
Oai:oai:repositorio.ipl.pt:10400.21/2866

Texto Completo

http://hdl.handle.net/10400.21/2866

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