TY - JOUR
T1 - Application of PC-SAFT EoS and SCFT for the modeling of thermophysical properties comprising deep eutectic solvent and alcohols
AU - Mgxadeni, Ncomeka
AU - Kabane, Bakusele
AU - Hernández, Ariel
AU - Bahadur, Indra
AU - Mohammad, Faruq
AU - Soleiman, Ahmed Abdullah
AU - Hashemi, Hamed
AU - Kabanda, Mwadham M.
N1 - Publisher Copyright:
© 2024 Curtin University and John Wiley & Sons Ltd.
PY - 2024/5/1
Y1 - 2024/5/1
N2 - Zinc (II) chloride based deep eutectic solvent (DES) were formed by mixing zinc (II) chloride with phosphoric acid. Fourier-transform infrared spectroscopy was used to identify any possible shifts when the two compounds were assorted, and differential scanning calorimetry (SDT Q600 V20.9 Build 2D) was utilized to evaluate the formation of deep eutectic solvent. Densities, (Formula presented.), and speed of sound, u, of [ZnCl2][phosphoric acid] 1:2.5 with methanol, ethanol, or propanol have been measured at T = (293.15, 303.15, 308.15, and 313.15) K and at atmospheric pressure. Excess molar volumes ((Formula presented.)), isentropic compressibilities ((Formula presented.)), deviation in isentropic compressibility ((Formula presented.)), and intermolecular free length ((Formula presented.)) were calculated from the densities, and speed of sound, respectively. To fit the excess molar volumes and deviation in isentropic compressibilities, the Redlich–Kister smoothing polynomial was used. Also, we have used perturbed chain statistical associating fluid theory equation of state (PC-SAFT EoS) for modeling the densities of the binary mixtures, and Schaaff's collision factor theory (SCFT) and Nomoto's relation (NR) were used for modeling the speed of sounds for the binary mixtures.
AB - Zinc (II) chloride based deep eutectic solvent (DES) were formed by mixing zinc (II) chloride with phosphoric acid. Fourier-transform infrared spectroscopy was used to identify any possible shifts when the two compounds were assorted, and differential scanning calorimetry (SDT Q600 V20.9 Build 2D) was utilized to evaluate the formation of deep eutectic solvent. Densities, (Formula presented.), and speed of sound, u, of [ZnCl2][phosphoric acid] 1:2.5 with methanol, ethanol, or propanol have been measured at T = (293.15, 303.15, 308.15, and 313.15) K and at atmospheric pressure. Excess molar volumes ((Formula presented.)), isentropic compressibilities ((Formula presented.)), deviation in isentropic compressibility ((Formula presented.)), and intermolecular free length ((Formula presented.)) were calculated from the densities, and speed of sound, respectively. To fit the excess molar volumes and deviation in isentropic compressibilities, the Redlich–Kister smoothing polynomial was used. Also, we have used perturbed chain statistical associating fluid theory equation of state (PC-SAFT EoS) for modeling the densities of the binary mixtures, and Schaaff's collision factor theory (SCFT) and Nomoto's relation (NR) were used for modeling the speed of sounds for the binary mixtures.
KW - PC-SAFT EoS
KW - Schaaff's collision factor theory
KW - thermophysical properties
KW - zinc (II) chloride based DESs
UR - http://www.scopus.com/inward/record.url?scp=85183625309&partnerID=8YFLogxK
U2 - 10.1002/apj.3031
DO - 10.1002/apj.3031
M3 - Article
AN - SCOPUS:85183625309
SN - 1932-2135
VL - 19
JO - Asia-Pacific Journal of Chemical Engineering
JF - Asia-Pacific Journal of Chemical Engineering
IS - 3
M1 - e3031
ER -