Extension of the Ye and Shreeve group contribution method for density estimation of ionic liquids in a wide range of temperatures and pressures
نویسندگان
چکیده
An extension of the Ye and Shreeve group contribution method [C. Ye, J.M. Shreeve, J. Phys. Chem. A 111 (2007) 1456–1461] for the estimation of densities of ionic liquids (ILs) is here proposed. The new version here presented allows the estimation of densities of ionic liquids in wide ranges of temperature and pressure using the previously proposed parameter table. Coefficients of new density correlation proposed were estimated using experimental densities of nine imidazolium-based ionic liquids. The new density correlation was tested against experimental densities available in literature for ionic liquids based on imidazolium, pyridinium, pyrrolidinium and phosphonium cations. Predicted densities are in good agreement with experimental literature data in a wide range of temperatures (273.15–393.15 K) and pressures (0.10–100 MPa). For imidazolium-based ILs, the mean percent deviation (MPD) is 0.45% and 1.49% for phosphonium-based ILs. A low MPD ranging from 0.41% to 1.57% was also observed for pyridinium and pyrrolidinium-based ILs. © 2007 Elsevier B.V. All rights reserved.
منابع مشابه
Modeling Solubility Behavior of CO2 in [C2-mim][BF4] and [C4-mim][BF4] Ionic Liquids by sPC-SAFT Equation of State
The simplified perturbed chain statistical associating fluid theory (sPC-SAFT) Equation of State (EOS) was proposed to describe the thermodynamic properties of pure ionic liquids (ILs). A set of sPC-SAFT parameters for 2 ILs was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. Good agreement with experimental density data was o...
متن کاملExtension of Linear Isotherm Regularity to Long Chain Alkanes
In this work, we consider each normal alkane as a hypothetical mixtureof methyland methylene groups, in which the interaction potential of each pair is assumed to be the average effective pair potential. Then, the LIR equation of state (EOS) is extended for such a hypothetical mixture. Also, three basic compounds, namely, propane, n-butane and cyclohexane, are used to obtain the contributio...
متن کاملA group contribution method for viscosity estimation of ionic liquids
Based on experimental viscosity data collected from the literature and using density data obtained from a predictive method previously roposed by the authors, a group contribution method is proposed to estimate viscosity of imidazolium-, pyridinium-, and pyrrolidiniumased ILs containing hexafluorophosphate (PF6), tetrafluoroborate (BF4), bis(trifluoromethanesulfonyl) amide (Tf2N), chloride (Cl)...
متن کاملEXTENSION OF LINEAR ISOTHERM REGULARITY TO LOWER DENSITY RANGE
The general equation of state which was found for dense fluids, both compressed liquids and dense supercritical fluids, namely "Linear Isotherm Regularity," is extended to the lower density range, specifically for densities lower than the Boyle density. This new equation of state which is called "ELIR" is shown to be compatible with the equations of state based on statistical-mechanical the...
متن کاملAn Accurate Empirical Correlation to Estimate Sonic speed of Ionic Liquids
In recent years there has been a great deal of attention paid by researchers in investigating ionic liquids (ILs) mainly due to the tremendous potential that ionic liquids have in reaction and separation technology. Sonic speed is an important thermodynamic property of ionic liquids (ILs) and always chosen as a source to determine other properties. A database for the sonic speed of pure ILs cre...
متن کامل