Two-component Gaussian core model : strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition

• Autor(a) principal: Frydel, Derek
• Data de Publicação: 2018
• Outros Autores: Levin, Yan
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UFRGS
• Texto Completo: http://hdl.handle.net/10183/195597
• topic: Transformações de fase; Termodinâmica; Método de Monte Carlo

In the present work, we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gasliquid transition of the two-component system poses a challenging theoretical problem.