[en] Decreases in Arctic Sea ice extent and thickness have led to more open ice conditions, encouraging both shipping traffic and oil exploration within the northern Arctic. As a result, the increased potential for accidental releases of crude oil or fuel into the Arctic environment threatens the pristine marine environment, its ecosystem, and local inhabitants. Thus, there is a need to develop a better understanding of oil behavior in a sea ice environment on a microscopic level. Computational quantum chemistry was used to simulate the effects of evaporation, dissolution, and partitioning within sea ice. Vapor pressures, solubilities, octanol-water partition coefficients, and molecular volumes were calculated using quantum chemistry and thermodynamics for pure liquid solutes (oil constituents) of interest. These calculations incorporated experimentally measured temperatures and salinities taken throughout an oil-in-ice mesocosm experiment conducted at the University of Manitoba in 2017. Their potential for interpreting the relative movements of oil constituents was assessed. Our results suggest that the relative movement of oil constituents is influenced by differences in physical properties. Lighter molecules showed a greater tendency to be controlled by brine advection processes due to their greater solubility. Molecules which are more hydrophobic were found to concentrate in areas of lower salt concentration.
Disciplines :
Earth sciences & physical geography
Author, co-author :
Desmond, Durell S ; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Saltymakova, Diana; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Crabeck, Odile ; Université de Liège - ULiège > Freshwater and OCeanic science Unit of reSearch (FOCUS) ; Laboratoire de Glaciologie, Université Libre de Bruxelles, Bruxelles 99131, Belgium
Schreckenbach, Georg; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Xidos, James D; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Barber, David G; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Isleifson, Dustin; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Stern, Gary A; University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada
Language :
English
Title :
Methods for Interpreting the Partitioning and Fate of Petroleum Hydrocarbons in a Sea Ice Environment.
CFI - Canada Foundation for Innovation CRCs - Canada Research Chairs NSERC - Natural Sciences and Engineering Research Council of Canada ArcticNet
Funding text :
This work was supported by the Canada Research Chairs (CRC) programs (Barber), Natural Sciences and Engineering Research Council (NSERC) of Canada (Stern, Schreckenbach), the Canada Foundation for Innovation (CFI) (Barber), ArcticNet\u2013Networks of Centres of Excellence (NCE) of Canada (Stern), and GENICE (Genome Canada LSARP (Grant No. 10203) and Research Manitoba) (Stern). This work was made possible by the facilities of the Shared Hierarchical Academic Research Computing Network (SHARCNET: www.sharcnet.ca ) and Compute/CalculCanada as well as Software for Chemistry & Materials (SCM).This work was supported by the Canada Research Chairs (CRC) programs (Barber), Natural Sciences and Engineering Research Council (NSERC) of Canada (Stern, Schreckenbach), the Canada Foundation for Innovation (CFI) (Barber), ArcticNet-Networks of Centres of Excellence (NCE) of Canada (Stern), and GENICE (Genome Canada LSARP (Grant No. 10203) and Research Manitoba) (Stern). This work was made possible by the facilities of the Shared Hierarchical Academic Research Computing Network (SHARCNET: www.sharcnet.ca) and Compute/CalculCanada as well as Software for Chemistry & Materials (SCM).
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