REPRESENTATION OF IONIC LIQUID VISCOSITY-TEMPERATURE DATA BY GENERALIZED CORRELATIONS AND AN ARTIFICIAL NEURAL NETWORK (ANN) MODEL

Ionic liquid (IL) viscosity (η)-temperature (T) data (at atmospheric pressure) are represented by an artificial neural network (ANN) model and the reduced forms of the Arrhenius, Vogel-Tamman-Fulcher (VTF), Arrhenius + higher order T-terms, and VTF + higher order T-term models. Training the data of 73 liquids (comprised of 5 cations and 32 anions) at 654 data points by a 2-7-1 neural network model (with inverse reduced temperature with respect to 323.15 K and logarithm of viscosity at 323.15 K as input neurons) yielded an overall percent deviation ( ) of 6.6% and a coefficient of determination (R 2 ) equal to 0.9. The other four models, in contrast, yielded values of and R 2 ranging between (21.2% and 21.7%) and (0.80 and 0.81), respectively. Testing the models with the data on an additional set of 8 ILs at 82 points yielded values of and R 2 comparable to those in the case of training. The results obtained show that the neural network scheme provides reasonably accurate viscosity estimates. On the other hand, the other four models could be used for design purposes, providing for approximate calculations. [Supplementary materials are available for this article. Go to the publisher's online edition of Chemical Engineering Communications for the following free supplemental resources: supplementary data tables.]

[1]  Morteza Zare,et al.  Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation , 2010 .

[2]  A. Leipertz,et al.  Viscosity, Interfacial Tension, Density, and Refractive Index of Ionic Liquids [EMIM][MeSO3], [EMIM][MeOHPO2], [EMIM][OcSO4], and [BBIM][NTf2] in Dependence on Temperature at Atmospheric Pressure† , 2009 .

[3]  J. Brennecke,et al.  Phase transition and decomposition temperatures, heat capacities and viscosities of pyridinium ionic liquids , 2005 .

[4]  K. R. Harris,et al.  Temperature and pressure dependence of the viscosity of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate , 2005 .

[5]  K. Yamuna Rani,et al.  Neural modelling of biochemical systems using CDTA with adaptive learning rate , 2006 .

[6]  Ana Rodríguez,et al.  Effect of temperature on the physical properties of two ionic liquids , 2009 .

[7]  P. Wasserscheid,et al.  Journal of the Royal Institute of Chemistry. November 1959 , 1959 .

[8]  Á. Domínguez,et al.  Physical properties of binary mixtures of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate with several alcohols at T = (298.15, 313.15, and 328.15) K and atmospheric pressure , 2007 .

[9]  Ana Rodríguez,et al.  Physical Properties of 1-Butyl-3-methylimidazolium Methyl Sulfate as a Function of Temperature , 2007 .

[10]  P. Wasserscheid,et al.  1-n-Butyl-3-methylimidazolium ([bmim]) octylsulfate—an even ‘greener’ ionic liquid , 2002 .

[11]  G. Wytze Meindersma,et al.  Density, viscosity, and surface tension of synthesis grade imidazolium,pyridinium, and pyrrolidinium based room temperature ionic liquids , 2009 .

[12]  Hiroshi Yamamoto,et al.  Prediction of The Ionic Conductivity and Viscosity of Ionic Liquids by QSPR Using Descriptors of Group Contribution Type , 2007 .

[13]  Á. Domínguez,et al.  Physical properties of pure 1 -ethyl -3 -methylimidazolium ethylsulfate and its binary mixtures with ethanol and water at several temperatures , 2006 .

[14]  Haitao Xu,et al.  Conductivity and Viscosity of 1-Allyl-3-methyl-imidazolium Chloride + Water and + Ethanol from 293.15 K to 333.15 K , 2005 .

[15]  David Rooney,et al.  Thermophysical Properties of Amino Acid-Based Ionic Liquids , 2010 .

[16]  K. Qiao,et al.  Viscosity of 1-Hexyl-3-methylimidazolium Hexafluorophosphate and 1-Octyl-3-methylimidazolium Hexafluorophosphate at High Pressure , 2007 .

[17]  M. Watanabe,et al.  Physicochemical properties and structures of room temperature ionic liquids. 2. Variation of alkyl chain length in imidazolium cation. , 2005, The journal of physical chemistry. B.

[18]  Mert Atilhan,et al.  Thermophysical Properties of Pure Ionic Liquids: Review of Present Situation , 2010 .

[19]  J. Coutinho,et al.  A group contribution method for viscosity estimation of ionic liquids , 2008 .

[20]  M. Gong,et al.  Vapor−Liquid Equilibrium Data of the Methane + Tetrafluoromethane System at Temperatures from (159.61 to 178.93) K , 2007 .

[21]  B. Mokhtarani,et al.  Densities, Refractive Indices, and Viscosities of the Ionic Liquids 1-Methyl-3-octylimidazolium Tetrafluoroborate and 1-Methyl-3-butylimidazolium Perchlorate and Their Binary Mixtures with Ethanol at Several Temperatures , 2008 .

[22]  C. Jian,et al.  Viscosities and Interfacial Properties of 1-Methyl-3-butylimidazolium Hexafluorophosphate and 1-Isobutenyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids , 2007 .

[23]  Kikuko Hayamizu,et al.  How ionic are room-temperature ionic liquids? An indicator of the physicochemical properties. , 2006, The journal of physical chemistry. B.

[24]  Li-sheng Wang,et al.  Densities and Viscosities of 1-Butyl-3-methylimidazolium Trifluoromethanesulfonate + H2O Binary Mixtures at T = (303.15 to 343.15) K , 2008 .

[25]  J. L. Legido,et al.  Physical properties of ionic liquids based on 1-alkyl-3-methylimidazolium cation and hexafluorophosphate as anion and temperature dependence , 2007 .

[26]  João A. P. Coutinho,et al.  Group Contribution Methods for the Prediction of Thermophysical and Transport Properties of Ionic Liquids , 2009 .

[27]  H. Gores,et al.  Temperature Dependence of the Non-Stokesian Charge Transport in Binary Blends of Ionic Liquids† , 2009 .

[28]  Heiko Kremer,et al.  Density, refractive index, interfacial tension, and viscosity of ionic liquids [EMIM][EtSO4], [EMIM][NTf2], [EMIM][N(CN)2], and [OMA][NTf2] in dependence on temperature at atmospheric pressure. , 2008, The journal of physical chemistry. B.

[29]  W. Henderson,et al.  Physical and electrochemical properties of N-alkyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide ionic liquids: PY13FSI and PY14FSI. , 2008, The journal of physical chemistry. B.

[30]  H. Artigas,et al.  Thermophysical Properties of N-Octyl-3-methylpyridinium Tetrafluoroborate , 2009 .

[31]  Joan F. Brennecke,et al.  Temperature and Composition Dependence of the Density and Viscosity of Binary Mixtures of Water + Ionic Liquid , 2006 .

[32]  Jacobo Troncoso,et al.  Viscosity-induced errors in the density determination of room temperature ionic liquids using vibrating tube densitometry , 2007 .

[33]  J. Tojo,et al.  Temperature Dependence of Physical Properties of Ionic Liquid 1,3-Dimethylimidazolium Methyl Sulfate , 2006 .

[34]  Luís M. N. B. F. Santos,et al.  Effect of Water on the Viscosities and Densities of 1-Butyl-3-methylimidazolium Dicyanamide and 1-Butyl-3-methylimidazolium Tricyanomethane at Atmospheric Pressure† , 2010 .

[35]  B. Mokhtarani,et al.  Density and viscosity of 1-butyl-3-methylimidazolium nitrate with ethanol, 1-propanol, or 1-butanol at several temperatures , 2009 .

[36]  Babak Mokhtarani,et al.  Density and viscosity of pyridinium-based ionic liquids and their binary mixtures with water at several temperatures , 2009 .

[37]  M. Anouti,et al.  Synthesis and characterization of new pyrrolidinium based protic ionic liquids. Good and superionic liquids. , 2008, The journal of physical chemistry. B.