Optimization of coal tar gas chromatography conditions using probabilistic-deterministic design of experiment
Эксперименттің ықтималды детерминистік жоспарлауын қолданумен көмір шайырының газ хроматографиясы жағдайларын оңтайландыру
Оптимизация условий газовой хроматографии каменноугольной смолы с применением вероятностно-детерминированного планирования эксперимента
Fomin V.N. Aynabaev A.A. Kaykenov D.A. Sadyrbekov D.T. Aldabergenova S.K. Turovets M.A. Kelesbek N.K.
2021E.A.Buketov Karaganda State University Publish House
Bulletin of the Karaganda University Chemistry Series
2021#104Issue 439 - 46 pp.
The development of physicochemical methods for the analysis of objects of complex composition requires the application of methods of mathematical experiment design. This article investigates the possibility of us-ing probabilistic-deterministic design of experiment (PDDoE) for obtaining a mathematical model of the chromatographic separation process of coal tar hydrogenation products on an Agilent 7890A device with an Rxi-5ms column. It is shown that the relationship between the column heating rate and the carrier gas pres-sure with the values averaged for the entire chromatogram can be established with a high accuracy. It is noted that the accuracy of modeling the individual characteristics of the mixture components peaks is less, but re-mains sufficient for many practical needs. Nonlinear multiple correlation coefficients (NMC) for the depend-ence of the average retention time and average intensity on the considered factors are more than 0.99; they are more than 0.98 for the average peak width. NMC for the dependence of the resolution with the relation to the peaks of naphthalene and 2-ethylphenol is more than 0.8 at a significant level that sufficient for practice. The quality of the mathematical model was checked by triple registration of the chromatogram at the values of the column heating rate and carrier gas pressure that were not used in the training experiment. The measurement results are excellent squared with those calculated using the obtained generalized equations. The PDDoE method can be recommended as a method for mathematical design of an optimization experiment in gas chromatography.
Coal tar , Design of experiment , Gas chromatography , GC-MS , Optimization , PDDoE , Peak width and height , Retention time
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Karagandy University of the Name of Academician E.A. Buketov, Karaganda, Kazakhstan
Karagandy University of the Name of Academician E.A. Buketov
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