Molecular modeling of interactions between heavy crude oil and the soil organic matter coated quartz surface

G Wu, X Zhu, H Ji, D Chen - Chemosphere, 2015 - Elsevier
Molecular dynamic (MD) simulation was applied to evaluate the mobility, diffusivity and
partitioning of SARA (saturates, aromatics, resins, asphaltenes) fractions of heavy crude oil
on soil organic matter (SOM) coated quartz surface. Four types of SOM were investigated
including Leonardite humic acid, Temple-Northeastern-Birmingham humic acid, Chelsea
soil humic acid and Suwannee river fulvic acid. The SOM aggregation at oil–quartz interface
decreased the adsorption of SARA on the quartz surface by 13–83%. Although the SOM …

Molecular modeling of interactions between heavy crude oil and the soil organic matter coated quartz surface.

WGZ Wu GuoZhong, ZXZ Zhu XinZhe, JHQ Ji HaoQing… - 2015 - cabidigitallibrary.org
Molecular dynamic (MD) simulation was applied to evaluate the mobility, diffusivity and
partitioning of SARA (saturates, aromatics, resins, asphaltenes) fractions of heavy crude oil
on soil organic matter (SOM) coated quartz surface. Four types of SOM were investigated
including Leonardite humic acid, Temple-Northeastern-Birmingham humic acid, Chelsea
soil humic acid and Suwannee river fulvic acid. The SOM aggregation at oil-quartz interface
decreased the adsorption of SARA on the quartz surface by 13-83%. Although the SOM …
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