Oil spill modeling in deep waters: Estimation of pseudo-component properties for cubic equations of state from distillation data

Highlights • Pseudo-components for high-pressure deep-water oil spill models • Estimation of Peng-Robinson EOS parameters for distillation-cut pseudo-components • Modeling of the non-ideal chemistry of hydrocarbons in deep waters • New correlations to calculate chemical properties of petroleum fractions • Validated with 614 oils from the ADIOS oil library Abstract Deep-water oil spills represent a major, localized threat to marine ecosystems. Multi-purpose computer models have been developed to predict the fate of spilled oil. These models include databases of pseudo-components from distillation cut analysis for hundreds of oils, and have been used for guiding response action, damage assessment, and contingency planning for marine oil spills. However, these models are unable to simulate the details of deep-water, high-pressure chemistry. We present a new procedure to calculate the chemical properties necessary for such simulations that we validate with 614 oils from the ADIOS oil library. The calculated properties agree within 20.4% with average values obtained from data for measured compounds, for 90% of the chemical properties. This enables equation-of-state calculations of dead oil density, viscosity, and interfacial tension. This procedure enables development of comprehensive oil spill models to predict the behavior of petroleum fluids in the deep sea