dc.contributor | Universidade Estadual de Maringá (UEM) | |
dc.contributor | Univ Tecnol Fed Parana | |
dc.contributor | Universidade Estadual Paulista (UNESP) | |
dc.contributor | Ctr Univ Fundacao Ensino Octavio Bastos UNIFEOB | |
dc.date.accessioned | 2022-04-28T17:22:56Z | |
dc.date.accessioned | 2022-12-20T00:39:39Z | |
dc.date.available | 2022-04-28T17:22:56Z | |
dc.date.available | 2022-12-20T00:39:39Z | |
dc.date.created | 2022-04-28T17:22:56Z | |
dc.date.issued | 2021-12-28 | |
dc.identifier | Industrial & Engineering Chemistry Research. Washington: Amer Chemical Soc, 7 p., 2021. | |
dc.identifier | 0888-5885 | |
dc.identifier | http://hdl.handle.net/11449/218759 | |
dc.identifier | 10.1021/acs.iecr.1c02495 | |
dc.identifier | WOS:000737894900001 | |
dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/5398893 | |
dc.description.abstract | The class of aromatic hydrocarbons is one of the most important in the petrochemical industry. As they are in a multicomponent mixture with aliphatics, separation represents a huge challenge given the proximity of their boiling points, and liquid-liquid extraction represents a good alternative to conventional separation processes. In this paper, liquid-liquid equilibrium data of a heptane-toluene-dimethylformamide (DMF)-diethylene glycol (DEG) system in the presence and absence of potassium thiocyanate salt were obtained and used to study solvation of ions in the DMF-DEG polar mixture solvent, using COnductor-like Screening MOdel (COSMO) modeling. It was verified that the solvation complexes failed to describe the system equilibrium despite the otherwise expected. COSMO-RS (realistic solvents) calculations of the unsolvated ions presented better approximation with experimental data compared to COSMO-SAC (segment activity coefficient) ones. The best simulation obtained with nonsolvated ions occurred probably due to pi electron interactions with ion charge and hydrogen bond with the solvent. | |
dc.language | eng | |
dc.publisher | Amer Chemical Soc | |
dc.relation | Industrial & Engineering Chemistry Research | |
dc.source | Web of Science | |
dc.title | COSMO Study on the Heptane-Toluene-DMF/DEG-KSCN Liquid- Liquid Equilibrium System | |
dc.type | Artículos de revistas | |