Molecular dynamic simulation of asphaltene co-aggregation with humic acid during oil spill
Humic acid in water and sediment plays a key role in the fate and transport of the spilled oil,
but little is known about its influence on the aggregation of heavy oil asphaltenes which is
adverse for remediation. Molecular dynamic simulation was performed to characterize the co-
aggregation of asphaltenes (continental model and Violanthrone-79 model) with Leonardite
humic acid (LHA) at the toluene–water interface and in bulk water, respectively, to simulate
the transport of asphaltenes from oil to water. At the toluene–water interface, a LHA layer …
but little is known about its influence on the aggregation of heavy oil asphaltenes which is
adverse for remediation. Molecular dynamic simulation was performed to characterize the co-
aggregation of asphaltenes (continental model and Violanthrone-79 model) with Leonardite
humic acid (LHA) at the toluene–water interface and in bulk water, respectively, to simulate
the transport of asphaltenes from oil to water. At the toluene–water interface, a LHA layer …
Molecular dynamic simulation of asphaltene co-aggregation with humic acid during oil spill.
ZXZ Zhu XinZhe, CDY Chen DaoYi… - 2015 - cabidigitallibrary.org
Humic acid in water and sediment plays a key role in the fate and transport of the spilled oil,
but little is known about its influence on the aggregation of heavy oil asphaltenes which is
adverse for remediation. Molecular dynamic simulation was performed to characterize the co-
aggregation of asphaltenes (continental model and Violanthrone-79 model) with Leonardite
humic acid (LHA) at the toluene-water interface and in bulk water, respectively, to simulate
the transport of asphaltenes from oil to water. At the toluene-water interface, a LHA layer …
but little is known about its influence on the aggregation of heavy oil asphaltenes which is
adverse for remediation. Molecular dynamic simulation was performed to characterize the co-
aggregation of asphaltenes (continental model and Violanthrone-79 model) with Leonardite
humic acid (LHA) at the toluene-water interface and in bulk water, respectively, to simulate
the transport of asphaltenes from oil to water. At the toluene-water interface, a LHA layer …
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