TY - JOUR
T1 - Prediction of DES' vapor pressure using a new corresponding state model
AU - Esmaeilzadeh, F.
AU - Zarei, F.
AU - Mousavi, S. M.
AU - Vakili-Nezhaad, G. R.
N1 - Publisher Copyright:
© 2020, Iranian Chemical Society.
PY - 2020/6/1
Y1 - 2020/6/1
N2 - Application of deep eutectic solvents (DES) in industrial chemical processes has been improved during the last decades. In this work, vapor pressures of 13 classes of DESs (DES 1-13) based on 5 salts and 7 hydrogen bond donors with various combinations of molar ratio were used between 343-393 K. The vapor pressures of the pure and aqueous solutions of DESs were calculated by different equations of state based on "ϕ-ϕ" or "γ-ϕ" γ-ϕ approaches. Additionally, the Voutsas and Wagner models as corresponding-state models were modified to predict the vapor pressure of the pure and aqueous solutions of DES with the total average absolute relative deviations of 7.03, 9.08% and 5.47, 7.15%, respectively. Moreover, the validity of vapor pressure calculation using the two modified models was checked using a linear equation for the average specific heat capacity of different DESs (23 classes of DESs) between 278.15-353.15 K. Results showed that the total average absolute relative deviations of the specific heat capacity of DESs, using the Modified-Voutsas and Modified-Wagner models from the experimental data, were 4.128 and 4.056%, respectively.
AB - Application of deep eutectic solvents (DES) in industrial chemical processes has been improved during the last decades. In this work, vapor pressures of 13 classes of DESs (DES 1-13) based on 5 salts and 7 hydrogen bond donors with various combinations of molar ratio were used between 343-393 K. The vapor pressures of the pure and aqueous solutions of DESs were calculated by different equations of state based on "ϕ-ϕ" or "γ-ϕ" γ-ϕ approaches. Additionally, the Voutsas and Wagner models as corresponding-state models were modified to predict the vapor pressure of the pure and aqueous solutions of DES with the total average absolute relative deviations of 7.03, 9.08% and 5.47, 7.15%, respectively. Moreover, the validity of vapor pressure calculation using the two modified models was checked using a linear equation for the average specific heat capacity of different DESs (23 classes of DESs) between 278.15-353.15 K. Results showed that the total average absolute relative deviations of the specific heat capacity of DESs, using the Modified-Voutsas and Modified-Wagner models from the experimental data, were 4.128 and 4.056%, respectively.
KW - Aqueous solutions
KW - Corresponding state models
KW - Deep eutectic solvents
KW - Equation of state
KW - Model
KW - Prediction
KW - Pure compounds
KW - Vapor pressure
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U2 - 10.22036/pcr.2020.211346.1707
DO - 10.22036/pcr.2020.211346.1707
M3 - Article
AN - SCOPUS:85085103078
SN - 2322-5521
VL - 8
SP - 771
EP - 796
JO - Physical Chemistry Research
JF - Physical Chemistry Research
IS - 3
ER -