{"id":390,"date":"2018-12-30T10:35:00","date_gmt":"2018-12-30T12:35:00","guid":{"rendered":"https:\/\/www.ufrgs.br\/lvpp\/?p=390"},"modified":"2025-11-24T10:41:58","modified_gmt":"2025-11-24T13:41:58","slug":"extension-of-the-f-sac-model-to-ionic-liquids","status":"publish","type":"post","link":"https:\/\/www.ufrgs.br\/lvpp\/extension-of-the-f-sac-model-to-ionic-liquids\/","title":{"rendered":"Extension of the F-SAC model to ionic liquids"},"content":{"rendered":"\n<p>In this work, the F-SAC model was extended to describe\u00a0ionic liquids\u00a0(IL). The proposed model was tested with cations of the 1-alkyl-3-methylimidazolium family (extended to 1-butyl, 1-hexyl and 1-octyl by group contribution) and six different anions. Only 25 new IL parameters were estimated based on infinite\u00a0dilution\u00a0activity coefficient\u00a0(IDAC) data. The non-IL group parameters were retrieved from previous works, not related to IL. The obtained parameters resulted in a good agreement for 1332 IDAC points of alkanes,\u00a0alkenes,\u00a0cycloalkanes,\u00a0cycloalkenes, aromatics, ethers, ketones, and water diluted in IL, with an absolute average deviation of 0.160 for the IDAC logarithm and R<sup>2<\/sup>\u00a0of 0.980. Prediction of vapor-liquid equilibria as well as liquid-liquid equilibria of binary and ternary mixtures also showed a good agreement with experimental data. Comparison with excess enthalpy data showed a good temperature dependence prediction. When compared to UNIFAC (Do), F-SAC presented similar results, but with a much smaller number of parameters needed (Unifac (Do) currently contains 163 non-zero binary parameters to describe a subset of the mixtures studied in this work).<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S037838121830356X\">Access the full article on this link.<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>In this work, the F-SAC model was extended to describe\u00a0ionic liquids\u00a0(IL). The proposed model was tested with cations of the 1-alkyl-3-methylimidazolium family (extended to 1-butyl, 1-hexyl and 1-octyl by group contribution) and six different anions. Only 25 new IL parameters&#8230;<br \/><a class=\"read-more-button\" href=\"https:\/\/www.ufrgs.br\/lvpp\/extension-of-the-f-sac-model-to-ionic-liquids\/\">Read more<\/a><\/p>\n","protected":false},"author":9,"featured_media":391,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/390"}],"collection":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/users\/9"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/comments?post=390"}],"version-history":[{"count":1,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/390\/revisions"}],"predecessor-version":[{"id":392,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/390\/revisions\/392"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/media\/391"}],"wp:attachment":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/media?parent=390"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/categories?post=390"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/tags?post=390"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}