Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents
Samo za registrovane korisnike
2022
Autori
Jovanović, Jovan D.Milošević, Ivana T.
Majstorović, Divna M.
Živković, Nikola V.
Živković, Emila M.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The free volume theory model was used to estimate viscosity of eight pure substances and their twenty-three binary mixtures. The selected viscosity data included compounds such as alcohol, ether, lactam, amine and polymer, measured at atmospheric pressure and in the temperature range (288.15–318.15/323.15/333.15) K depending on the used pure chemical. For pure substances free volume theory is a correlative three-parameter model, while for mixtures different approaches were tested regarding the number of parameters in the proposed extended logarithmic mixing rule, and showed that the optimal one in terms of complexity and yet with good results, also has three parameters to be optimized. The usage of the simplified model, without dilute gas term, was justified by the values of absolute average deviations for both pure component and mixtures. The model was also coupled with different equations of state (Peng-Robinson and Soave-Redlich-Kwong) for calculation of needed density data, in case...s when experimental density data are missing. For pure chemicals, values of absolute average deviations are up to 2.3% for tested polymers, and below 0.8% for other classes of chemicals. For binary mixtures overall deviations go to 1% for eleven systems without polymer and to 3.8% for twelve systems with polymer as one compound. Comparison with friction theory is slightly in favor of friction theory for pure compounds, but involves higher number of parameters, while for the mixtures free volume theory showed significantly better results with the same number of optimized parameters. © 2022 Elsevier B.V.
Ključne reči:
Extended logarithmic mixing rule / Free-volume theory / Modelling / Polymer / ViscosityIzvor:
Journal of Molecular Liquids, 2022, 359, -119369Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200135 (Univerzitet u Beogradu, Tehnološko-metalurški fakultet) (RS-MESTD-inst-2020-200135)
DOI: 10.1016/j.molliq.2022.119369
ISSN: 0167-7322
WoS: 00080503250000
Scopus: 2-s2.0-85130784127
Institucija/grupa
Tehnološko-metalurški fakultetTY - JOUR AU - Jovanović, Jovan D. AU - Milošević, Ivana T. AU - Majstorović, Divna M. AU - Živković, Nikola V. AU - Živković, Emila M. PY - 2022 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5149 AB - The free volume theory model was used to estimate viscosity of eight pure substances and their twenty-three binary mixtures. The selected viscosity data included compounds such as alcohol, ether, lactam, amine and polymer, measured at atmospheric pressure and in the temperature range (288.15–318.15/323.15/333.15) K depending on the used pure chemical. For pure substances free volume theory is a correlative three-parameter model, while for mixtures different approaches were tested regarding the number of parameters in the proposed extended logarithmic mixing rule, and showed that the optimal one in terms of complexity and yet with good results, also has three parameters to be optimized. The usage of the simplified model, without dilute gas term, was justified by the values of absolute average deviations for both pure component and mixtures. The model was also coupled with different equations of state (Peng-Robinson and Soave-Redlich-Kwong) for calculation of needed density data, in cases when experimental density data are missing. For pure chemicals, values of absolute average deviations are up to 2.3% for tested polymers, and below 0.8% for other classes of chemicals. For binary mixtures overall deviations go to 1% for eleven systems without polymer and to 3.8% for twelve systems with polymer as one compound. Comparison with friction theory is slightly in favor of friction theory for pure compounds, but involves higher number of parameters, while for the mixtures free volume theory showed significantly better results with the same number of optimized parameters. © 2022 Elsevier B.V. T2 - Journal of Molecular Liquids T2 - Journal of Molecular Liquids T1 - Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents EP - 119369 VL - 359 DO - 10.1016/j.molliq.2022.119369 ER -
@article{ author = "Jovanović, Jovan D. and Milošević, Ivana T. and Majstorović, Divna M. and Živković, Nikola V. and Živković, Emila M.", year = "2022", abstract = "The free volume theory model was used to estimate viscosity of eight pure substances and their twenty-three binary mixtures. The selected viscosity data included compounds such as alcohol, ether, lactam, amine and polymer, measured at atmospheric pressure and in the temperature range (288.15–318.15/323.15/333.15) K depending on the used pure chemical. For pure substances free volume theory is a correlative three-parameter model, while for mixtures different approaches were tested regarding the number of parameters in the proposed extended logarithmic mixing rule, and showed that the optimal one in terms of complexity and yet with good results, also has three parameters to be optimized. The usage of the simplified model, without dilute gas term, was justified by the values of absolute average deviations for both pure component and mixtures. The model was also coupled with different equations of state (Peng-Robinson and Soave-Redlich-Kwong) for calculation of needed density data, in cases when experimental density data are missing. For pure chemicals, values of absolute average deviations are up to 2.3% for tested polymers, and below 0.8% for other classes of chemicals. For binary mixtures overall deviations go to 1% for eleven systems without polymer and to 3.8% for twelve systems with polymer as one compound. Comparison with friction theory is slightly in favor of friction theory for pure compounds, but involves higher number of parameters, while for the mixtures free volume theory showed significantly better results with the same number of optimized parameters. © 2022 Elsevier B.V.", journal = "Journal of Molecular Liquids, Journal of Molecular Liquids", title = "Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents", pages = "119369", volume = "359", doi = "10.1016/j.molliq.2022.119369" }
Jovanović, J. D., Milošević, I. T., Majstorović, D. M., Živković, N. V.,& Živković, E. M.. (2022). Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents. in Journal of Molecular Liquids, 359. https://doi.org/10.1016/j.molliq.2022.119369
Jovanović JD, Milošević IT, Majstorović DM, Živković NV, Živković EM. Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents. in Journal of Molecular Liquids. 2022;359:null-119369. doi:10.1016/j.molliq.2022.119369 .
Jovanović, Jovan D., Milošević, Ivana T., Majstorović, Divna M., Živković, Nikola V., Živković, Emila M., "Free volume theory and extended mixing rule implementation for estimation of liquid viscosity of flue gas desulphurization candidate solvents" in Journal of Molecular Liquids, 359 (2022), https://doi.org/10.1016/j.molliq.2022.119369 . .