Application of PC-SAFT EoS and SCFT for the modeling of thermophysical properties comprising deep eutectic solvent and alcohols

被引:0
|
作者
Mgxadeni, Ncomeka [1 ]
Kabane, Bakusele [2 ]
Hernandez, Ariel [3 ]
Bahadur, Indra [1 ,8 ]
Mohammad, Faruq [4 ]
Soleiman, Ahmed Abdullah [5 ]
Hashemi, Hamed [6 ]
Kabanda, Mwadham M. [7 ]
机构
[1] North West Univ Mafikeng Campus, Dept Chem, Private Bag X2046, Mmabatho, South Africa
[2] Durban Univ Technol ML Sultan Campus, Dept Chem, Phys Chem Labs, Durban, South Africa
[3] Univ Catolica Santisima Concepcion, Fac Ingn, Dept Ingn Ind, Concepcion, Chile
[4] King Saud Univ, Coll Sci, Dept Chem, Riyadh, Saudi Arabia
[5] Southern Univ & A&M Coll, Dept Chem, Baton Rouge, LA USA
[6] Univ Witwatersrand, Dept Chem & Met Engn, Johannesburg, South Africa
[7] Univ Venda, Sch Math & Nat Sci, Dept Chem, Thohoyandou, South Africa
[8] North West Univ Mafikeng Campus, Dept Chem, Private Bag X2046, ZA-2735 Mmabatho, South Africa
关键词
PC-SAFT EoS; Schaaff's collision factor theory; thermophysical properties; zinc (II) chloride based DESs; APPARENT MOLAR VOLUME; PERTURBED-CHAIN SAFT; PLUS ETHYL-ACETATE; BINARY-MIXTURES; IONIC LIQUID; MOLECULAR-INTERACTIONS; REFRACTIVE-INDEXES; ISENTROPIC COMPRESSIBILITY; DIFFERENT TEMPERATURES; SOUND-VELOCITY;
D O I
10.1002/apj.3031
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
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, rho, 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 (V-m(E)), isentropic compressibilities (k(s)), deviation in isentropic compressibility (Delta k(s)), and intermolecular free length (L-f) 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.
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页数:25
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