Retention index system, adsorption characteristics, and structure correlations of polycyclic aromatic hydrocarbons in fuels

Abstract

SummaryPart of this work focuses on temperature programmed retention index assessment of 70 polynuclear aromatic hydrocarbons (PAHs) using a methylsilicone capillary column. The use of the retention index presented here offers a good possibility of identifying and determining PAHs in the mass range discussed and to apply such conditions to the analysis of fuel and fuel deposits. Retention indices and vaporization enthalpy data of PAHs are linearly related to the molecular total energy. This paper describes also a gas-chromatographic study of the adsorption of some PAHs on Carbopack.

Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices

“…Attempts to plug exact values into Eq. [12] and calculate ln B 2s values directly were not successful, so the theoretical equations found in the previous section were used to indicate the form of the fitting equations, but not the values of all the parameters. Four different correlations were examined based on Eqs.…”

“…A variety of examples of QSPR and QSRR are found in the literature (12)(13)(14)(15)(16)(17)(18)(19). The roles of London dispersion forces and polarizability have been studied in inverse gas chromatography at infinite dilution (13).…”

Correlations of Henry's Law Gas–Solid Virial Coefficients and Chromatographic Retention Times for Hydrocarbons and Halocarbons Adsorbed on Carbopack C Carbon

“…Various molecular and thermodynamic parameters including properties such as molar refractivity, dipole moment, connectivity indices, number count of specific atoms, boiling point, and molecular mass have been used to correlate retention data of gas chromatography (2)(3)(4)(5)(6)(7)(8)(9)(10)(11). The selection of parameters for predicting retention times has often been based only on finding an effective correlation of data and can involve combining a number of parameters (18).…”

“…For example, 70 polynuclear aromatic hydrocarbon (PAH) molecules have been studied using retention indices and vaporization enthalpy data for PAH molecules on Carbopack (2). Descriptors such as boiling point, molecular weight, and polarizability are used to correlate retention times.…”

Retention system, thermodynamic properties and structure correlations of environmental analytes

“…Much effort of chromatographers is still oriented to the measurement of simple retention data for use by themselves or by other laboratories [7,8]. For qualitative GC analysis of polycyclic aromatic hydrocarbons (PAHs) specific Kov4ts [9,10] and polycyclic aromatic compounds (PAC) [11] retention indices can be found for different stationary phases. Retention characteristics on different stationary phases have recently been reported for polychlorinated biphenyls (PCBs) [12][13][14].…”