Extension of the Ye and Shreeve group contribution method for density estimation of ionic liquids in a wide range of temperatures and pressures
Extension of the Ye and Shreeve group contribution method for density estimation of ionic liquids in a wide range of temperatures and pressures
复制标题
DOI：
10.1016/j.fluid.2007.09.016
复制
发表时间：
2008-01-15
影响因子：
2.6
通讯作者：
Coutinho, Joao A. P.
中科院分区：
文献类型：
--
作者：
Gardas, Ramesh L.;Coutinho, Joao A. P.
Ye 和 Shreeve 小组贡献法的扩展 [C.叶，J.M. Shreeve，J. Phys。化学。这里提出了用于估计离子液体（IL）密度的A 111 (2007) 1456-1461]。这里提出的新版本允许使用先前提出的参数表来估计宽温度和压力范围内的离子液体的密度。所提出的新密度相关系数是使用九种咪唑基离子液体的实验密度来估计的。新的密度相关性根据文献中可用的基于咪唑鎓、吡啶鎓、吡咯烷鎓和鏻阳离子的离子液体的实验密度进行了测试。在较宽的温度（273.15-393.15 K）和压力（0.10-100 MPa）范围内，预测的密度与实验文献数据非常吻合。对于基于咪唑鎓的离子液体，平均百分比偏差 (MPD) 为 0.45%，基于磷鎓的离子液体为 1.49%。基于吡啶鎓和吡咯烷鎓的离子液体也观察到了 0.41% 至 1.57% 的低 MPD。 (c) 2007 Elsevier B.V. 保留所有权利。
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. (c) 2007 Elsevier B.V. All rights reserved.