Determination of oil/water and octanol/water distribution coefficients from aqueous solutions from four fossil fuels. [MS thesis; in oil-water and octanol-water]

Technical Report · Sun Jul 01 04:00:00 EDT 1984

DOI:https://doi.org/10.2172/7089831· OSTI ID:7089831

Thomas, B L

Liquid fossil fuels, both petroleum and synthetically derived oils, are exceedingly complex mixtures of thousands of components. The effect of many of these energy-related components on the environment is largely unknown. Octanol/water distribution coefficients relate both to toxicity and to the bioaccumulation potential of chemical components. Use of these partition data in conjunction with component concentrations in the oils in environmental models provides important information on the fate of fossil fuel components when released to the environment. Octanol/water distribution data are not available for many energy-related organic compounds, and those data that are available have been determined for individual components in simple, one-component octanol/water equilibrium mixtures. In this study, methods for determining many octanol/water distribution coefficients from aqueous extracts of oil products were developed. Sample aqueous mixtures were made by equilibrating liquid fossil fuels with distilled water. This approach has the advantage of detecting interactions between components of interest and other sample components. Compound types studied included phenols, nitrogen bases, hydrocarbons, sulfur heterocyclic compounds, and carboxylic acids. Octanol/water distribution coefficients that were determined in this study ranged from 9.12 for aniline to 67,600 for 1,2-dimethylnaphthalene. Within a compound type, distribution coefficients increased logarithmically with increasing alkyl substitution and molecular weight. Additionally, oil/water distribution data were determined for oil components. These data are useful in predicting maximum environmental concentrations in water columns. 96 references, 26 figures, and 40 tables.

• Research Organization: Pacific Northwest Lab., Richland, WA (USA)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 7089831
• Report Number(s): PNL-5002; ON: DE84015229
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010405 -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
010600* -- Coal
Lignite
& Peat-- Properties & Composition
02 PETROLEUM
023000 -- Petroleum-- Properties & Composition
04 OIL SHALES AND TAR SANDS
040500 -- Oil Shales & Tar Sands-- Properties & Composition
ALCOHOLS
AMINES
AQUATIC ECOSYSTEMS
AQUEOUS SOLUTIONS
AROMATICS
BIOLOGICAL ACCUMULATION
CARBOXYLIC ACIDS
CHEMICAL ANALYSIS
CHEMICAL REACTIONS
CHROMATOGRAPHY
COAL LIQUEFACTION
COAL LIQUIDS
DERIVATIZATION
DISPERSIONS
DISTILLATES
DISTRIBUTION
ECOSYSTEMS
ENERGY SOURCES
FLUIDS
FOSSIL FUELS
FUEL OILS
FUELS
GAS CHROMATOGRAPHY
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
LIQUEFACTION
LIQUID FUELS
LIQUIDS
MASS SPECTROSCOPY
MINERAL OILS
MIXTURES
OCTANOLS
OILS
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
OTHER ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PETROLEUM
PETROLEUM PRODUCTS
PHENOLS
SEPARATION PROCESSES
SHALE OIL
SOLUBILITY
SOLUTIONS
SPECTROSCOPY
SRC-II PROCESS
THERMOCHEMICAL PROCESSES
TOXICITY
WATER