TY - JOUR
T1 - Development of a LSSVM-GC model for estimating the electrical conductivity of ionic liquids
AU - Gharagheizi, Farhad
AU - Ilani-Kashkouli, Poorandokht
AU - Sattari, Mehdi
AU - Mohammadi, Amir H.
AU - Ramjugernath, Deresh
AU - Richon, Dominique
PY - 2014
Y1 - 2014
N2 - In this communication, an extensive set of 1077 experimental electrical conductivity data for 54 ionic liquids (ILs) was collected from 21 different literature sources. Using this dataset, a reliable least square support vector machine-group contribution (LSSVM-GC) model has been developed, which employs a total of 22 sub-structures in addition to the temperature to represent/predict the electrical conductivity of ILs. In order to distinguish the effects of the anion and cation on the electrical conductivity of ILs, 11 sub-structures related to the chemical structure of anions, and 11 sub-structures related to the chemical structure of cations were implemented. The proposed model produces a low average absolute relative deviation (AARD) of less than 3.3% taking into consideration all 1077 experimental data values.
AB - In this communication, an extensive set of 1077 experimental electrical conductivity data for 54 ionic liquids (ILs) was collected from 21 different literature sources. Using this dataset, a reliable least square support vector machine-group contribution (LSSVM-GC) model has been developed, which employs a total of 22 sub-structures in addition to the temperature to represent/predict the electrical conductivity of ILs. In order to distinguish the effects of the anion and cation on the electrical conductivity of ILs, 11 sub-structures related to the chemical structure of anions, and 11 sub-structures related to the chemical structure of cations were implemented. The proposed model produces a low average absolute relative deviation (AARD) of less than 3.3% taking into consideration all 1077 experimental data values.
KW - Electrical conductivity
KW - Support vector machine
KW - Ionic liquids
KW - Group contribution
KW - Model
KW - Database
U2 - 10.1016/j.cherd.2013.06.015
DO - 10.1016/j.cherd.2013.06.015
M3 - Journal article
SN - 0263-8762
VL - 92
SP - 66
EP - 79
JO - Chemical Engineering Research and Design
JF - Chemical Engineering Research and Design
IS - 1
ER -