New Method Based on the UNIFAC-VISCO Model for the Estimation of Ionic Liquids Viscosity Using the Experimental Data Recommended by Mathematical Gnostics

被引:14
|
作者
Zhao, Nan [1 ]
Oozeerally, Ryan [2 ]
Degirmenci, Volkan [2 ]
Wagner, Zdenek [3 ]
Bendova, Magdalena [3 ]
Jacquemin, Johan [1 ,4 ]
机构
[1] Queens Univ Belfast, Sch Chem & Chem Engn, Belfast BT9 5AG, Antrim, North Ireland
[2] Univ Warwick, Sch Engn, Coventry CV4 7AL, W Midlands, England
[3] CAS, Inst Chem Proc Fundamentals, E Hala Lab Separat Proc, Vvi, Rozvojova 135, Prague 16502 6, Suchdol, Czech Republic
[4] Univ Tours, Lab PCM2E, Parc Grandmont, F-37200 Tours, France
来源
基金
英国工程与自然科学研究理事会;
关键词
PHYSICAL-PROPERTIES; BINARY-MIXTURES; THERMOPHYSICAL PROPERTIES; PHYSICOCHEMICAL PROPERTIES; PRESSURE-DEPENDENCE; 1-HEXYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; TEMPERATURE-DEPENDENCE; VOLUMETRIC PROPERTIES; TRANSPORT-PROPERTIES; DYNAMIC VISCOSITIES;
D O I
10.1021/acs.jced.6b00689
中图分类号
O414.1 [热力学];
学科分类号
摘要
The-viscosity of ionic liquids (ILs) has been modeled as a function of temperature and at atmospheric pressure using a new method based on the UNIFAC-VISCO method. This model extends the calculations previously reported by our group (see Zhao et al. J. Chem. Eng. Data 2016, 61, 2160-2169) which used 154 experimental-viscosity data points of 25 ionic liquids for regression of a set of binary interaction parameters and ion Vogel-Fulcher-Tammann (VFT) parameters. Discrepancies in the experimental data of the same IL affect the quality of the correlation and thus the development of the predictive method. In this work, mathematical gnostics was used to analyze the experimental data from different sources and recommend one set of reliable data for each IL. These recommended data (totally 819 data points) for 70 ILs were correlated using this model to obtain an extended set of binary interaction parameters and ion VFT parameters, with a regression accuracy of 1.4%. In addition, 966 experimental viscosity data points for 11 binary mixtures of ILs were collected from literature to establish this model. All the binary data consist of 128 training data points used for the optimization of binary interaction parameters and 838 test data points used for the comparison of the pure evaluated values. The relative average absolute deviation (RAAD) for training and test is 2.9% and 3.9%, respectively.
引用
收藏
页码:3908 / 3921
页数:14
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