US EPA

2152387 

Journal Article 

Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons 

Arey, JS; Nelson, RK; Xu, L; Reddy, CM 

2005 

Yes 

Analytical Chemistry
ISSN: 0003-2700
EISSN: 1520-6882 

77 

22 

7172-7182 

16285663 

10.1021/ac051051n 

WOS:000233404200009 

Comprehensive two-dimensional gas chromatography (GC x GC) provides nearly complete composition data for some complex mixtures such as petroleum hydrocarbons. However, the potential wealth of physical property information contained in the corresponding two-dimensional chromatograms is largely untapped. We developed a simple but robust method to estimate GC x GC retention indices for diesel-range hydrocarbons. By exploiting n-alkanes as reference solutes in both dimensions, calculated retention indices were insensitive to uncertainty in the enthalpy of gas-stationary-phase transfer for a suite of representative diesel components. We used the resulting two-dimensional retention indices to estimate the liquid vapor pressures, aqueous solubilities, air-water partition coefficients, octanol-water partition coefficients, and vaporization enthalpies of a nearly complete set of diesel fuel hydrocarbons. Partitioning properties were typically estimated within a factor of 2; this is not as accurate as some previous estimation or measurement methods. However, these relationships may allow powerful and incisive analysis of phase-transfer processes affecting petroleum hydrocarbon mixtures in the environment. For example, GC x GC retention data might be used to quantitatively deconvolve the effects of water washing and evaporation on environmentally released diesel fuels.