Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent
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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 / resolutionSource:
Hemijska industrija, 2017, 71, 1, 27-33Funding / projects:
- Advanced technologies for monitoring and environmental protection from chemical pollutants and radiation burden (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-43009)
DOI: 10.2298/HEMIND151107014T
ISSN: 0367-598X; 2217-7426
WoS: 000397234900004
Scopus: 2-s2.0-85016216306
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VinčaTY - JOUR AU - Todorović, Žaklina AU - Rajaković, Ljubinka V. AU - Onjia, Antonije E. PY - 2017 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1472 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. T2 - Hemijska industrija T1 - Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent VL - 71 IS - 1 SP - 27 EP - 33 DO - 10.2298/HEMIND151107014T ER -
@article{ author = "Todorović, Žaklina and Rajaković, Ljubinka V. and Onjia, Antonije E.", 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.", journal = "Hemijska industrija", title = "Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent", volume = "71", number = "1", pages = "27-33", doi = "10.2298/HEMIND151107014T" }
Todorović, Ž., Rajaković, L. V.,& Onjia, A. E.. (2017). Modelling of cations retention in ion chromatography with methanesulfonic acid as eluent. in Hemijska industrija, 71(1), 27-33. https://doi.org/10.2298/HEMIND151107014T
Todorović Ž, Rajaković LV, Onjia AE. 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 E., "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 . .