Density and Viscosity Modeling of Three Deep Eutectic Solvents Using a Volume-Shifted Cubic Equation of State Coupled with the Friction Theory

被引:6
作者
Macias-Salinas, Ricardo [1 ]
Romero-Rueda, Ines Maria [1 ]
机构
[1] Inst Politecn Nacl, Dept Ingn Quim, ESIQIE SEPI, Mexico City 07738, DF, Mexico
关键词
CHOLINE CHLORIDE; AQUEOUS MIXTURES; IONIC LIQUIDS; PREDICTION;
D O I
10.1021/acs.iecr.3c03478
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
In this work, a three-parameter viscosity model based on the friction theory (FT) and coupled with a cubic equation of state was developed to correlate and predict the dynamic viscosity of deep eutectic solvents (DESs). The present viscosity model was derived from an existing six-parameter FT-based viscosity model, which was previously applied to pure ionic liquids. By focusing on the most dominant dragging forces affecting the viscosity of DESs, we were able to safely reduce the number of model parameters without a significant loss of model accuracy. The use of a volume-shifted cubic EoS (Soave-Redlich-Kwong or Peng-Robinson) served also to obtain improved density estimations of the DESs under study. The resulting modeling approach was successfully validated during the correlation of experimental dynamic viscosities and mass densities of three archetypal DESs (choline chloride-based DESs): reline, ethaline, and glyceline within a temperature range varying from 283.15 to 373.15 K and at pressures from 1 to 1000 bar. The average absolute relative deviations yielded by the present thermodynamic model varied from 0.27 to 0.93% for the density modeling and from 2.25 to 4.29% for the viscosity modeling of the three DESs.
引用
收藏
页码:718 / 730
页数:13
相关论文
共 34 条
[1]   Free-volume viscosity model for fluids in the dense and gaseous states [J].
Allal, A ;
Boned, C ;
Baylaucq, A .
PHYSICAL REVIEW E, 2001, 64 (01) :10-011203
[2]   A simple model for the viscosities of deep eutectic solvents [J].
Bakhtyari, Ali ;
Haghbakhsh, Reza ;
Duarte, Ana Rita C. ;
Raeissi, Sona .
FLUID PHASE EQUILIBRIA, 2020, 521
[3]   Thermodynamic characterization of deep eutectic solvents at high pressures [J].
Crespo, Emanuel A. ;
Costa, Joao M. L. ;
Palma, Andre M. ;
Soares, Belinda ;
Carmen Martin, M. ;
Segovia, Jose J. ;
Carvalho, Pedro J. ;
Coutinho, Joao A. P. .
FLUID PHASE EQUILIBRIA, 2019, 500
[4]   The study on temperature dependence of viscosity and surface tension of several Phosphonium-based deep eutectic solvents [J].
Ghaedi, Hosein ;
Ayoub, Muhammad ;
Sufian, Suriati ;
Shariff, Azmi Mohd ;
Lal, Bhajan .
JOURNAL OF MOLECULAR LIQUIDS, 2017, 241 :500-510
[5]   Simple and global correlation for the densities of deep eutectic solvents [J].
Haghbakhsh, Reza ;
Bardool, Roghayeh ;
Bakhtyari, Ali ;
Duarte, Ana Rita C. ;
Raeissi, Sona .
JOURNAL OF MOLECULAR LIQUIDS, 2019, 296
[6]   A general viscosity model for deep eutectic solvents: The free volume theory coupled with association equations of state [J].
Haghbakhsh, Reza ;
Parvaneh, Khalil ;
Raeissi, Sona ;
Shariati, Alireza .
FLUID PHASE EQUILIBRIA, 2018, 470 :193-202
[7]   The friction theory for modeling the viscosities of deep eutectic solvents using the CPA and PC-SAFT equations of state [J].
Haghbakhsh, Reza ;
Raeissi, Sona ;
Parvaneh, Khalil ;
Shariati, Alireza .
JOURNAL OF MOLECULAR LIQUIDS, 2018, 249 :554-561
[8]   Deep Eutectic Solvents: A Review of Fundamentals and Applications [J].
Hansen, Benworth B. ;
Spittle, Stephanie ;
Chen, Brian ;
Poe, Derrick ;
Zhang, Yong ;
Klein, Jeffrey M. ;
Horton, Alexandre ;
Adhikari, Laxmi ;
Zelovich, Tamar ;
Doherty, Brian W. ;
Gurkan, Burcu ;
Maginn, Edward J. ;
Ragauskas, Arthur ;
Dadmun, Mark ;
Zawodzinski, Thomas A. ;
Baker, Gary A. ;
Tuckerman, Mark E. ;
Savinell, Robert F. ;
Sangoro, Joshua R. .
CHEMICAL REVIEWS, 2021, 121 (03) :1232-1285
[9]   Note on the properties altered by application of a Peneloux-type volume translation to an equation of state [J].
Jaubert, Jean-Noel ;
Privat, Romain ;
Le Guennec, Yohann ;
Coniglio, Lucie .
FLUID PHASE EQUILIBRIA, 2016, 419 :88-95
[10]   Development of quantitative structure-property relationship to predict the viscosity of deep eutectic solvent for CO2 capture using molecular descriptor [J].
Kurnia, Kiki Adi ;
Zunita, Megawati ;
Coutinho, Joao A. P. ;
Wenten, I. Gede ;
Santoso, Djoko .
JOURNAL OF MOLECULAR LIQUIDS, 2022, 347