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Ionic liquid excess molar volume prediction: a conceptual comparison

Bagheri, H ; Sharif University of Technology | 2021

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  1. Type of Document: Article
  2. DOI: 10.1016/j.molliq.2021.116581
  3. Publisher: Elsevier B.V , 2021
  4. Abstract:
  5. In this study, the prediction of excess molar volume of ionic liquid + solvent binary system is described using modified two-parameter and three-parameter cubic equation of state (CEoS). The studied binary systems are consisted of 41 ionic liquids, 40 solvents and 5293 data point in the wide temperature range (278.15–353.15 K), ionic liquid mole fraction (0.0036–0.9920) and atmospheric pressure i.e. P = 1 bar. At the first step, the volume-translated parameter (c) was obtained based on three linear, distance function and exponential-type temperature-dependent cases and using experimental pure density. After that, and due to easy-to-use of c-parameter, various formula was presented based on pure component thermodynamic features for all three cases (IL and solvent, separately). Finally, to investigate the accuracy of presented c-parameter formula, the excess molar volume of 119 various binary systems was molded using volume-translated PR (VTPR) EoS and volume-translated SRK (VTSRK) EoS without using any binary interaction parameter and the obtained results was compared with the original three-parameter CEoS, Patel-Teja (PT) EoS. The obtained results indicated that the performed two-parameter CEoS modification leads to increase the accuracy of the conventional PR EoS and SRK EoS in comparision to original two-parameter CEoS version and also, PT EoS. The average absolute percent deviation of the VTSRK EoS (c-parameter based on distance function) and the VTPR EoS (c-parameter based on exponential-type temperature-dependent volume-translated) were fewer values through all studied cases and it was 2.0443 and 2.8927, respectively. © 2021 Elsevier B.V
  6. Keywords:
  7. Atmospheric pressure ; Atmospheric temperature ; Binary mixtures ; C (programming language) ; Equations of state ; Solvents ; Systems (metallurgical) ; Volume measurement ; Binary systems ; C parameter ; Cubic equations of state ; Excess molar volumes ; Patel-teja EoS ; PR EoS ; SRK EoS ; Three parameters ; Two parameter ; Volume-translated ; Ionic liquids
  8. Source: Journal of Molecular Liquids ; Volume 336 , 2021 ; 01677322 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0167732221013052