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Molecular insights on the interfacial and transport properties of supercritical CO2/brine/crude oil ternary system

Author:
Sohaib Mohammed  G.Ali Mansoori  


Journal:
Journal of Molecular Liquids


Issue Date:
2018


Abstract(summary):

Abstract In this study, we conducted a series of molecular dynamics simulations to investigate the effect of supercritical carbon dioxide (sc-CO 2 ) on the interfacial and transport properties of brine/crude oil at the reservoir conditions. We also studied the interfacial behavior of asphaltenes in presence of CO 2 . Crude oil was resembled by several hydrocarbons which are hexane, heptane, octane, nonane, cyclohexane, cycloheptane, benzene and toluene. The results showed that CO 2 , aromatics and asphaltenes accumulate at the interface at low CO 2 mole fraction, however, as CO 2 mole fraction increases, the relative density, the ratio of the density at the interface to the bulk density, decreases for both CO 2 and aromatics. The decrease in CO 2 relative density is due to the amount of CO 2 dissolved in the oil bulk, which increases as CO 2 mole fraction increase. It also found that CO 2 displaces the oil molecules away from the interface, thus the relative density of aromatics decreases. Interestingly, it was found that as CO 2 mole fraction increase, it enhances the face-to-face stacking between asphaltene molecules as noticed from the radial distribution function calculations. CO 2 also force some asphaltene molecules to leave the interface and being dissolved and aggregated in the oil bulk. It also found that as CO 2 mole fraction increased in the system, it dilutes the interface, penetrates to the water phase, forms hydrogen bonds with water and due to these effects, it reduces the interfacial tension of brine/crude oil system. The diffusivity of supercritical CO 2 /brine/crude oil system was also increased as a function of CO 2 mole fraction. This study provides insights of the underlying interfacial properties from molecular level for a more realistic system of brine/crude oil. Highlights • The effect of compressed CO 2 on the interfacial and transport properties of brine/crude oil emulsion was studied. • CO 2 , aromatics and asphaltenes accumulate at brine/crude oil interface at low CO 2 mole fraction. • CO 2 enhances the aggregation of asphaltene in the oil bulk. • CO 2 displaced oil molecules away from the interface. • CO 2 increases the diffusivity of brine/crude oil system.


Page:
268-268


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