Thermodynamic modeling of gas solubility in ionic liquids using equations of state
This work aimed at the thermodynamic modeling of gas solubility in ionic liquids (ILs) using the Soave-Redlich-Kwong (SRK), cubic-plus-association (CPA), and perturbed-chain statistical associating fluid theory (PC-SAFT) equations of state. Wherefore, the routines were developed for the parameteriza...
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| Format: | Article |
| Language: | English |
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Association of the Chemical Engineers of Serbia
2023-01-01
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| Series: | Chemical Industry and Chemical Engineering Quarterly |
| Subjects: | |
| Online Access: | https://doiserbia.nb.rs/img/doi/1451-9372/2023/1451-93722200028C.pdf |
| _version_ | 1827929537248231424 |
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| author | Cardoso Lucas Oliveira Conceição Bruno Santos Paredes Márcio Luis Lyra Mattedi Silvana |
| author_facet | Cardoso Lucas Oliveira Conceição Bruno Santos Paredes Márcio Luis Lyra Mattedi Silvana |
| author_sort | Cardoso Lucas Oliveira |
| collection | DOAJ |
| description | This work aimed at the thermodynamic modeling of gas solubility in ionic liquids (ILs) using the Soave-Redlich-Kwong (SRK), cubic-plus-association (CPA), and perturbed-chain statistical associating fluid theory (PC-SAFT) equations of state. Wherefore, the routines were developed for the parameterization of ILs. Then, the ILs were implemented in the Aspen plus simulator to evaluate the equations of state and explore the phase equilibrium data with the predictive equations and the correlation of the binary interaction parameter. Hence, it was verified the correlation of the density and speed of sound curves presented limitations to correcting the slope of the curves of pure ILs. Nonetheless, the PC-SAFT with the 4C associative scheme demonstrated a better fit for the thermophysical properties. As for the prediction of phase equilibrium for the [EMIM][TfO], the PC-SAFT with the 2B scheme showed a better fit with CO2, while the CPA with the 2B scheme presented the best result for H2S. For [OMIM][NTf2], the PC-SAFT with the 1A scheme showed better results with CO2, and the CPA with the 2B scheme showed the lowest deviation with H2S. |
| first_indexed | 2024-03-13T06:24:41Z |
| format | Article |
| id | doaj.art-62b66f67db7f4e6d9b72ad4afb0731e3 |
| institution | Directory Open Access Journal |
| issn | 1451-9372 2217-7434 |
| language | English |
| last_indexed | 2024-03-13T06:24:41Z |
| publishDate | 2023-01-01 |
| publisher | Association of the Chemical Engineers of Serbia |
| record_format | Article |
| series | Chemical Industry and Chemical Engineering Quarterly |
| spelling | doaj.art-62b66f67db7f4e6d9b72ad4afb0731e32023-06-09T10:41:59ZengAssociation of the Chemical Engineers of SerbiaChemical Industry and Chemical Engineering Quarterly1451-93722217-74342023-01-0129320922410.2298/CICEQ220417028C1451-93722200028CThermodynamic modeling of gas solubility in ionic liquids using equations of stateCardoso Lucas Oliveira0Conceição Bruno Santos1Paredes Márcio Luis Lyra2Mattedi Silvana3Chemical Engineering Graduate Program (UFBA/UNIFACS), Polytechnic School, Federal University of Bahia, Salvador, BrazilChemical Engineering Graduate Program (UFBA/UNIFACS), Polytechnic School, Federal University of Bahia, Salvador, BrazilChemical Engineering Graduate Program, Rio de Janeiro State University, Rio de Janeiro, BrazilChemical Engineering Graduate Program (UFBA/UNIFACS), Polytechnic School, Federal University of Bahia, Salvador, BrazilThis work aimed at the thermodynamic modeling of gas solubility in ionic liquids (ILs) using the Soave-Redlich-Kwong (SRK), cubic-plus-association (CPA), and perturbed-chain statistical associating fluid theory (PC-SAFT) equations of state. Wherefore, the routines were developed for the parameterization of ILs. Then, the ILs were implemented in the Aspen plus simulator to evaluate the equations of state and explore the phase equilibrium data with the predictive equations and the correlation of the binary interaction parameter. Hence, it was verified the correlation of the density and speed of sound curves presented limitations to correcting the slope of the curves of pure ILs. Nonetheless, the PC-SAFT with the 4C associative scheme demonstrated a better fit for the thermophysical properties. As for the prediction of phase equilibrium for the [EMIM][TfO], the PC-SAFT with the 2B scheme showed a better fit with CO2, while the CPA with the 2B scheme presented the best result for H2S. For [OMIM][NTf2], the PC-SAFT with the 1A scheme showed better results with CO2, and the CPA with the 2B scheme showed the lowest deviation with H2S.https://doiserbia.nb.rs/img/doi/1451-9372/2023/1451-93722200028C.pdfthermodynamic modelingionic liquidsequations of stateassociatingaspen plus |
| spellingShingle | Cardoso Lucas Oliveira Conceição Bruno Santos Paredes Márcio Luis Lyra Mattedi Silvana Thermodynamic modeling of gas solubility in ionic liquids using equations of state Chemical Industry and Chemical Engineering Quarterly thermodynamic modeling ionic liquids equations of state associating aspen plus |
| title | Thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| title_full | Thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| title_fullStr | Thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| title_full_unstemmed | Thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| title_short | Thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| title_sort | thermodynamic modeling of gas solubility in ionic liquids using equations of state |
| topic | thermodynamic modeling ionic liquids equations of state associating aspen plus |
| url | https://doiserbia.nb.rs/img/doi/1451-9372/2023/1451-93722200028C.pdf |
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