[Estimation of gas chromatographic retention index for polycyclic aromatic hydrocarbons using VMDE]
Related Experiment Video
Updated: Sep 27, 2026

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
Published on: August 5, 2016
1Laboratory for Green Chemistry and Technology, Laboratory of Molecular Science and Engineering, College of Environment and Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China.
Abstract:
A novel molecular distance-edge vector with 6 parameters was calculated for 100 polycyclic aromatic hydrocarbons (PAHs) based on the molecular interaction theory. It was found that there was a good linear relationship between the molecular distance-edge vector (VMDE) and the gas chromatographic retention index for the 100 PAHs, and the molecular modelling equation for the quantitative structure-retention relationship (QSRR) can be expressed as follows: IR = a + b VMDE, n = 100, r = 0.988, where a and b represent regression coefficients. The regression results showed that the molecular distance-edge vector is in good agreement with the results of molecular polarizability index to the gas chromatographic retention index for the polycyclic aromatic hydrocarbons.
Related Concept Videos
Gas Chromatography: Introduction
In GC, a sample is vaporized and mixed with an inert carrier gas (the mobile phase), which transports it through a column.
Silica Gel Column Chromatography: Overview
Polar components tend to bind strongly to the silica gel, causing them to move slowly through the column. In contrast, nonpolar compounds...
Gas Chromatography: Types of Detectors-II
Gas Chromatography: Types of Columns and Stationary Phases
For an analyte to remain on the column for a sufficient amount of time, it must exhibit some level of compatibility (or...
Gas Chromatography–Mass Spectrometry (GC–MS)
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall. The coating...
Gas Chromatography: Types of Detectors-I
TCD is the earliest and most widely used detector that operates by measuring the changes in the thermal conductivity of the carrier gas. When a sample compound enters the detector,...
