Abstract
The partition coefficients’ application in the hexane–acetonitrile system as an additional identification feature of polyaromatic hydrocarbons in the review gas chromatography–mass spectrometry analysis of delayed coking gas oils has been considered. The UNIFAC model was used to calculate the partition coefficients of polycyclic aromatic hydrocarbons. It is shown that methyl derivatives of naphthalene, fluorene, anthracene, and pyrene can be identified with an accuracy up to several methyl groups by the position of the figurative point on the partition coefficient–retention index plane. The experimental values of partition coefficients for naphthalene, anthracene, and pyrene are 0.82, 0.78, and 0.77, respectively. The appearance of one methyl group increases the partition coefficient by 0.15–0.2 on average. A total of 53 polyaromatic hydrocarbons were identified in this way.
Highlights
Analysis of the results given in previous works[1,2] showed that it would be impossible to replace most hydrocarbon resources with alternatives in the short term
Special attention should be paid to polycyclic aromatic hydrocarbons (PAHs) because the required depth of hydrofinishing reactions in the subsequent processing to obtain environmentally friendly motor fuels depends largely on their quantity.[8−10] important is the effect of PAHs on the properties of motor fuels.[11−13] For example, in the case of diesel fuel, PAHs increase the tendency to carbonize and are the main cause of particulate emissions from the diesel engine.[14−16] PAHs are highly toxic compounds
A correlation equation linking the values of partition coefficients of naphthalene, methylnaphthalene, anthracene, and pyrene calculated for this pair of chromatograms with the similar values calculated by UNIFAC is used
Summary
Analysis of the results given in previous works[1,2] showed that it would be impossible to replace most hydrocarbon resources with alternatives in the short term. An order of magnitude more peaks can be obtained compared to onedimensional chromatography When this method is used to analyze fuel fractions, group identification of compounds can be made quite .[20] This method is effective for the analysis of nitrogen- and oxygen-containing compounds.[21,22] The method’s main disadvantage is the need for additional expensive equipment, which significantly increases the analysis complexity and cost. An important advantage of this method is the ability to distinguish isomeric hydrocarbons; it is possible to distinguish isomers with similar RIs, such as 2,6- and 2,7-dimethylnaphthalenes.[26,27] at this point, a significant disadvantage should be mentioned the absence of databases with hydrocarbon spectra greatly complicates the chromatographic analysis Both the abovementioned methods require additional equipment, but it is possible to improve the analytical quality without it. This work’s main objective is to develop a working methodology for the chromatography distribution method application in combination with model calculations for the identification of polyaromatic hydrocarbons of delayed coking products
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