A group contribution method for estimating the refractive indices of ionic liquids

被引：16

作者：

Sattari, Mehdi ^{[1
,2
]}

Kamari, Arash ^{[1
]}

Mohammadi, Amir H. ^{[1
,3
]}

Ramjugernath, Deresh ^{[1
]}

机构：

[1] Univ KwaZulu Natal, Sch Engn, Thermodynam Res Unit, ZA-4041 Durban, South Africa

[2] Islamic Azad Univ, Dept Chem Engn, Buinzahra Branch, Buinzahra, Iran

[3] IRGCP, Paris, France

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2014年 / 200卷

基金：

新加坡国家研究基金会;

关键词：

Refractive index; Ionic liquid; Group contribution; GC; Model; TEMPERATURE; PREDICTION; CO2; ELECTROLYTES; EXTRACTION; EFFICIENT; POLYMERS; WATER;

D O I：

10.1016/j.molliq.2014.11.005

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This paper presents a group contribution method for the prediction of refractive indices n(D) of ionic liquids at different temperatures. The method was developed using refractive index data (lambda = 589 nm) of ionic liquids (ILs) extracted from the NIST Standard Reference Database. The dataset used in the method development comprised 97 ILs constituted from 50 cations and 33 anions. The dataset contained 931 experimental data points. 80% of the data in the dataset was used as a training set, and 20% as a test set. The result is a 17-parameter linear model with an overall AARD% of 0.34%, coefficient of determination (R-2) of 0.964, and a root mean square of error (RMSE) of 7.97 x 10(-3). (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：410 / 415

页数：6

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