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Updated: Feb 1, 2026

Chemical Analysis of Water-accommodated Fractions of Crude Oil Spills Using TIMS-FT-ICR MS
Published on: March 3, 2017
Oil spill modeling in deep waters: Estimation of pseudo-component properties for cubic equations of state from
Jonas Gros1, Anusha L Dissanayake1, Meghan M Daniels1
1Zachry Department of Civil Engineering, Texas A&M University, College Station, TX 77843, USA.
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.
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