Publicação
High-pressure modeling of multifunctional associating molecules with the CPA EoS
| Resumo: | Molecules containing different and/or multiple associating groups in their structure are well known in biological systems, as well as are important products in the pharmaceutical, chemical and food industries. This presentation follows previous works where the study of the low pressure phase equilibria of multifunctional associating molecules in water and organic solvents has been addressed and where the CPA EoS was successfully used with a predictive scheme for the pure component parameters using solely the molecular structure (Ind. Eng. Chem. Res. 47, 2008, 5182-5189 and J. Phys. Chem. B. 113, 2009, 3469-3476). We will show here how this same scheme can be used for the high pressure phase equilibria of phenolic compounds. The focus will be on the CO2 phase equilibria, due to its importance for supercritical fluid extraction. |
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| Autores principais: | Queimada, António |
| Outros Autores: | Mota, Fátima L.; Pinho, Simão; Macedo, Eugénia A. |
| Assunto: | High pressure Phenolics Associating compounds CPA EoS |
| Ano: | 2010 |
| País: | Portugal |
| Tipo de documento: | documento de conferência |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | Instituto Politécnico de Bragança |
| Idioma: | inglês |
| Origem: | Biblioteca Digital do IPB |
| Resumo: | Molecules containing different and/or multiple associating groups in their structure are well known in biological systems, as well as are important products in the pharmaceutical, chemical and food industries. This presentation follows previous works where the study of the low pressure phase equilibria of multifunctional associating molecules in water and organic solvents has been addressed and where the CPA EoS was successfully used with a predictive scheme for the pure component parameters using solely the molecular structure (Ind. Eng. Chem. Res. 47, 2008, 5182-5189 and J. Phys. Chem. B. 113, 2009, 3469-3476). We will show here how this same scheme can be used for the high pressure phase equilibria of phenolic compounds. The focus will be on the CO2 phase equilibria, due to its importance for supercritical fluid extraction. |
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