Two-component Gaussian core model : strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition
dc.contributor.author | Frydel, Derek | pt_BR |
dc.contributor.author | Levin, Yan | pt_BR |
dc.date.accessioned | 2019-06-06T02:35:49Z | pt_BR |
dc.date.issued | 2018 | pt_BR |
dc.identifier.issn | 0021-9606 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/195597 | pt_BR |
dc.description.abstract | 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. | en |
dc.format.mimetype | application/pdf | pt_BR |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | The journal of chemical physics. New York. Vol. 148, no. 2 (Jan. 2018), 024904, 8 p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Transformações de fase | pt_BR |
dc.subject | Termodinâmica | pt_BR |
dc.subject | Método de Monte Carlo | pt_BR |
dc.title | Two-component Gaussian core model : strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 001091309 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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