Development of a computational method to quantify the partitioning of polycyclic aromatic hydrocarbons in seawater into dissolved and droplet forms

The ecological risk and potential injury from polycyclic aromatic hydrocarbons (PAHs) from spilled crude oil in water is dependent on whether they are dissolved or associated with droplets/particles. Using oil collected from the Deepwater Horizon incident, laboratory experiments were conducted to develop a computational method to determine the physical state of PAHs in sampled seawater and compare these to results from methods designed to physically separate dissolved and droplet oil used during the spill. The analytical results were used to develop a method to calculate droplet/particulate concentrations from unfractionated water samples based on oil composition and allocation of minimally soluble oil components to the droplet fraction. The computational method is less labor-intensive and costly than field fractionation and can be used to optimize the use of previously collected data. The results also showed that physical separation can result in insoluble high-molecularweight PAHs being present in the filtrate (i.e., the "dissolved" fraction), potentially leading to an overestimate of dissolved components.