Procedure for the correlation of normal appearance VLE data, where the classical models dramatically fail with no apparent reason
| Autor: | Juan A. Reyes-Labarta, Paloma Carbonell-Hermida, Maria del Mar Olaya, Antonio Marcilla |
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| Přispěvatelé: | Universidad de Alicante. Departamento de Ingeniería Química, Universidad de Alicante. Instituto Universitario de Ingeniería de los Procesos Químicos, Procesado y Pirólisis de Polímeros, Computer Optimization of Chemical Engineering Processes and Technologies (CONCEPT) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
VLE
General Chemical Engineering Phase equilibrium General Physics and Astronomy 02 engineering and technology 01 natural sciences Correlation symbols.namesake 020401 chemical engineering Mixing (mathematics) Consistency (statistics) Applied mathematics Normal appearance 0204 chemical engineering Physical and Theoretical Chemistry Representation (mathematics) Activity coefficient model 010405 organic chemistry Chemistry Experimental data 0104 chemical sciences Gibbs free energy Ingeniería Química NRTL symbols Isobaric process Data correlation |
| Zdroj: | RUA. Repositorio Institucional de la Universidad de Alicante Universidad de Alicante (UA) |
| Popis: | The necessity of using a pressure (P) or temperature (T) dependence in the Gibbs energy of mixing of the liquid phase (gM,L) for some isothermal (or isobaric) VLE data sets, respectively, is discussed in this paper. A graphical representation, directly obtained from the experimental data, is proposed as a method to clearly classify the behaviour of the systems and select the adequate model (i.e. including when appropriate the T or P dependence) to correlate them. The result is that many of the poorly fitted systems in the literature could be precisely modelled using the correct procedure with adequate functions of P or T. Some suitable examples are used to illustrate the validity of these ideas, providing satisfactory correlation results for those systems in the literature. The ideas presented in this paper reveal important aspects related to the inappropriate application of some thermodynamic consistency (TC) tests to evaluate the quality of VLE data sets. |
| Databáze: | OpenAIRE |
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