Two-dimensional gas chromatography/mass spectrometry, physical property modeling and automated production of component maps to assess the weathering of pollutants.

Local conditions influence how pollutants will weather in subsurface environments and sediment, and many of the processes that comprise environmental weathering are dependent upon these substances' physical and chemical properties. For example, the effects of dissolution, evaporation, and organic phase partitioning can be related to the aqueous solubility (SW), vapor pressure (VP), and octanol-water partition coefficient (KOW), respectively. This study outlines a novel approach for estimating these physical properties from comprehensive two-dimensional gas chromatography-mass spectrometry (GC×GC/MS) retention index-based polyparameter linear free energy relationships (LFERs).

New spectral deconvolution algorithms for the analysis of polycyclic aromatic hydrocarbons and sulfur heterocycles by comprehensive two-dimensional gas chromatography-quadrupole mass spectrometery.

New mass spectral deconvolution algorithms have been developed for comprehensive two-dimensional gas chromatography/quadrupole mass spectrometry (GC × GC/qMS). This paper reports the first use of spectral deconvolution of full scan quadrupole GC × GC/MS data for the quantitative analysis of polycyclic aromatic hydrocarbons (PAH) and polycyclic aromatic sulfur heterocycles (PASH) in coal tar-contaminated soil. A method employing four ions per isomer and multiple fragmentation patterns per alkylated homologue (MFPPH) is used to quantify target compounds.

Subsurface detection of fossil fuel pollutants by photoionization and gas chromatography/mass spectrometry.

This paper describes analysis of environmental pollutants at depth without bringing sample to the surface. It is based on an improved 3-stage Peltier freeze trap, which efficiently pre-concentrates volatile coal tar and petroleum hydrocarbons, and an integrated system for detecting pollutants on-line, in real-time by photoionization detection and quantitation by gas chromatography/mass spectrometry (GC/MS) as the probe is advanced into the subsurface. Findings indicate measurement precision and accuracy for volatiles meet EPA criteria for hazardous waste site investigations.