| Journal: | Brazilian journal of chemical engineering |
| Database: | PERIÓDICA |
| System number: | 000309005 |
| ISSN: | 0104-6632 |
| Authors: | Pessoa-Filho, P. A1 Mohamed, R.S2 Maurer, G3 |
| Institutions: | 1Universidade de Sao Paulo, Escola Politecnica, Sao Paulo. Brasil 2Universidade Estadual de Campinas, Faculdade de Engenharia Quimica, Campinas, Sao Paulo. Brasil 3Universitat Kaiserslautern, Lehrstuhl fur Technische Thermodynamik, Kaiserslautern, Rheinland-Pfalz. Alemania |
| Year: | 2005 |
| Season: | Sep |
| Volumen: | 22 |
| Number: | 3 |
| Pages: | 471-487 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, analítico |
| English abstract | The UNIQUAC model for the excess Gibbs energy is modified using chemical theory to account for chain-like association occurring in self-associating compounds such as alcohols. The equation considers the alcohol to be a mixture of clusters in chemical equilibrium. The UNIQUAC equation is used to model the behavior of the mixture of clusters, with size and surface parameters related to the number of alcohol molecules involved in their formation. The values of association enthalpy and entropy were obtained through fitting vapor pressure data. The model is used to correlate phase behavior of alcohol-hydrocarbon mixtures at low pressures, presenting excellent results in bubble point calculations. A further extension was made to allow for cross-association, the formation of a hydrogen bond between the molecules of an alcohol and an active solute. This extension was used to model alcohol-aromatic mixtures with equally good results |
| Disciplines: | Química |
| Keyword: | Química orgánica, Equilibrio vapor-líquido, Energía libre de Gibbs, Hidrocarburos, Alcohol |
| Keyword: | Chemistry, Organic chemistry, Vapor-liquid equilibrium, Gibbs energy, Hydrocarbons, Alcohol |
| Full text: | Texto completo (Ver HTML) |
