The two retention models, the linear solvent strength model (LSS) and the quadratic relationship, in addition to artificial neural network (ANN) approach, were compared in their ability to predict the retention behaviour of common cations (Li, Na, NH4, K, Mg and Ca) in isocratic ion chromatography using the methanesulfonic acid (MSA) eluent. Over wide variations in the MSA concentration, the quadratic model shows a quite good prediction power. LSS can be used only for monovalent cations and in the proximity of the experimental design point. ANN fails to predict the retention for the data not included in the training set. To find the optimal conditions in the experimental design, the normalized resolution product as a chromatographic objective function was employed. The optimum MSA concentration in the eluent on a Dionex CS12 column was found to be 18 mM, with the total analysis time of less than 10 min.
Keywords:
computer-assisted optimization / ANN / MSA / IC / resolution
TY - JOUR
AU - Todorović, Žaklina
AU - Rajaković, Ljubinka V.
AU - Onjia, Antonije
PY - 2017
UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3733
AB - The two retention models, the linear solvent strength model (LSS) and the quadratic relationship, in addition to artificial neural network (ANN) approach, were compared in their ability to predict the retention behaviour of common cations (Li, Na, NH4, K, Mg and Ca) in isocratic ion chromatography using the methanesulfonic acid (MSA) eluent. Over wide variations in the MSA concentration, the quadratic model shows a quite good prediction power. LSS can be used only for monovalent cations and in the proximity of the experimental design point. ANN fails to predict the retention for the data not included in the training set. To find the optimal conditions in the experimental design, the normalized resolution product as a chromatographic objective function was employed. The optimum MSA concentration in the eluent on a Dionex CS12 column was found to be 18 mM, with the total analysis time of less than 10 min.
PB - Savez hemijskih inženjera, Beograd
T2 - Hemijska industrija
T1 - Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent
EP - 33
IS - 1
SP - 27
VL - 71
DO - 10.2298/HEMIND151107014T
ER -
@article{
author = "Todorović, Žaklina and Rajaković, Ljubinka V. and Onjia, Antonije",
year = "2017",
abstract = "The two retention models, the linear solvent strength model (LSS) and the quadratic relationship, in addition to artificial neural network (ANN) approach, were compared in their ability to predict the retention behaviour of common cations (Li, Na, NH4, K, Mg and Ca) in isocratic ion chromatography using the methanesulfonic acid (MSA) eluent. Over wide variations in the MSA concentration, the quadratic model shows a quite good prediction power. LSS can be used only for monovalent cations and in the proximity of the experimental design point. ANN fails to predict the retention for the data not included in the training set. To find the optimal conditions in the experimental design, the normalized resolution product as a chromatographic objective function was employed. The optimum MSA concentration in the eluent on a Dionex CS12 column was found to be 18 mM, with the total analysis time of less than 10 min.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Hemijska industrija",
title = "Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent",
pages = "33-27",
number = "1",
volume = "71",
doi = "10.2298/HEMIND151107014T"
}
Todorović, Ž., Rajaković, L. V.,& Onjia, A.. (2017). Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent. in Hemijska industrija
Savez hemijskih inženjera, Beograd., 71(1), 27-33.
https://doi.org/10.2298/HEMIND151107014T
Todorović Ž, Rajaković LV, Onjia A. Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent. in Hemijska industrija. 2017;71(1):27-33.
doi:10.2298/HEMIND151107014T .
Todorović, Žaklina, Rajaković, Ljubinka V., Onjia, Antonije, "Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent" in Hemijska industrija, 71, no. 1 (2017):27-33,
https://doi.org/10.2298/HEMIND151107014T . .
