A generic approach to construct pseudo components for oil weathering models

• Published in: Journal of hazardous materials Vol. 459; p. 132160
• Main Authors: Geng, Xiaolong, Barker, Christopher H., MacFadyen, Amy, Boufadel, Michel C., Thrift-Viveros, Dalina L., Jones, Robert K., O’Connor, Caitlin, Lee, Kenneth
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 05-10-2023
• Subjects: ADIOS oil database; GNOME; Numerical modeling; Oil evaporative weathering; Pseudo components; Numerical modeling; ADIOS oil database; Pseudo components; Oil evaporative weathering; GNOME
• ISSN: 0304-3894; 1873-3336
• DOI: 10.1016/j.jhazmat.2023.132160

Oil weathering models are essential for predicting the behavior of spilled oil in the environment. Most models use a “Pseudo Component” (PC) approach to represent the wide range of compounds found in petroleum products. Within the approach, rather than modeling each individual compound in an oil, a manageable number of PCs are developed that represent whole classes of compounds. However, previous studies focused mainly on traditional crude oils and did not develop a generic approach to create an optimal set of PCs for a variety of oils. In developing the updates to the NOAA oil weathering model, we propose herein a generic approach to construct PCs using oil distillation data to capture the complexity of oil evaporative weathering. We validated our approach with 899 oils from the Automated Data Inquiry for Oil Spills (ADIOS) oil library and found that an optimal set of sixteen PCs should be used. These PCs include two with low boiling point (below 144 °C), one with a high boiling point (above 400 °C), and thirteen constructed within a middle range of boiling points with a temperature resolution of 20 °C. Our simulation tests suggested that this set of sixteen PCs adequately characterizes oil evaporation processes for a wide variety of oils.
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•A pseudo-component approach is developed for modeling oil evaporative weathering.•16 pseudo-components constructed to model oil evaporation are tested with 899 oils.•Empirical formulas are derived to estimate pseudo-components' density and viscosity.