title: Insights into asphaltene aggregation in the Na-montmorillonite interlayer.
abstract: This study aimed to provide insights into the diffusion and aggregation of asphaltenes in the Na-montmorillonite (MMT) interlayer with different water saturation, salinity, interlayer space and humic substances. The molecular configuration, density profile, diffusion coefficient and aggregation intensity were determined by molecular dynamic simulation, while the 3D topography and particle size of the aggregates were characterized by atomic force microscopy. Results indicated that the diffusivity of asphaltenes was up to 5-fold higher in the MMT interlayer filled with fresh water than with saline water (salinity: 35‰). However, salinity had little impact on the asphaltene aggregation. This study also showed a marked decrease in the mobility of asphaltenes with decrease in the pore water content and the interlayer space of MMT. This was more pronounced in the organo-MMT where the humic substances were present. The co-aggregation process resulted in the sequestration of asphaltenes in the hollow cone-shaped cavity of humic substances in the MMT interlayer, which decreased the asphaltene diffusion by up to one-order of magnitude and increased the asphaltene aggregation by about 33%. These findings have important ramifications for evaluating the fate and transport of heavy fractions of the residual oil in the contaminated soils.
authors.affiliation: Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen, 518055, China; School of Environment, Tsinghua University, Beijing, 100084, China.
authors.forename: Xinzhe
authors.initials: X
authors.lastname: Zhu
authors.affiliation: Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen, 518055, China.
authors.forename: Daoyi
authors.initials: D
authors.lastname: Chen
authors.affiliation: Division of Ocean Science and Technology, Graduate School at Shenzhen, Tsinghua University, Shenzhen, 518055, China. Electronic address: w.guozhong@sz.tsinghua.edu.cn.
authors.forename: Guozhong
authors.initials: G
authors.lastname: Wu
mesh_terms: D001546:Bentonite / Q000737:chemistry*; D004058:Diffusion; D006812:Humic Substances; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D010316:Particle Size; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*; D054712:Salinity; D012989:Soil Pollutants / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D006812:Humic Substances; D011084:Polycyclic Aromatic Hydrocarbons; D012989:Soil Pollutants; C000592077:asphaltene; D014867:Water; D001546:Bentonite
keywords: Aggregation; Asphaltene; Atomic force microscopy; Humic substances; Molecular simulation; Montmorillonite