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Title: Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces

Abstract

A basic understanding of dynamic wettability alteration at complex solid interfaces in varying fluidic environments representative of the subsurface environments is essential for engineering field-scale strategies to enhance energy recovery while reducing environmental impacts. In this study, we characterize dynamic wettability alteration at solid surfaces (e.g., calcite, silica and illite) resulting from the self-assembly and adsorption of polyaromatic macromolecules known as asphaltenes in heptane and toluene solvents at 200 bar and 313 K using classical molecular dynamics simulations. These conditions are chosen to be representative of the subsurface environments. On adding asphaltenes, the equilibrium contact angles on calcite, silica and illite surfaces which are in the range of 25–34° increased to 69–79°. The adsorption and self-assembly of asphaltene molecules on the solid surfaces and the accumulation on water/hydrocarbon interfaces reduces the spreading distances of water molecules and enhances the hydrophobicity of the solid surfaces. Moreover, the accumulation of asphaltene molecules at the water/liquid hydrocarbon interfaces results in a reduction of the interfacial tension of water/heptane and water/toluene, thus stabilizing the water droplet. The enhanced surface hydrophobicity contributes to the formation of layered structures of heptane and toluene close to the solid surfaces and reduces the self-diffusivities of these molecules closemore » to the surface.« less

Authors:
ORCiD logo [1];  [1]
  1. Cornell Univ., Ithaca, NY (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials (MUSE); Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1596103
Grant/Contract Number:  
SC0019285
Resource Type:
Accepted Manuscript
Journal Name:
Applied Surface Science
Additional Journal Information:
Journal Volume: 505; Journal Issue: C; Journal ID: ISSN 0169-4332
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; Wettability; Contact angles; Hydrophobicity; Asphaltenes; Self-assembly; Diffusivity

Citation Formats

Mohammed, Sohaib, and Gadikota, Greeshma. Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces. United States: N. p., 2019. Web. https://doi.org/10.1016/j.apsusc.2019.144516.
Mohammed, Sohaib, & Gadikota, Greeshma. Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces. United States. https://doi.org/10.1016/j.apsusc.2019.144516
Mohammed, Sohaib, and Gadikota, Greeshma. Fri . "Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces". United States. https://doi.org/10.1016/j.apsusc.2019.144516. https://www.osti.gov/servlets/purl/1596103.
@article{osti_1596103,
title = {Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces},
author = {Mohammed, Sohaib and Gadikota, Greeshma},
abstractNote = {A basic understanding of dynamic wettability alteration at complex solid interfaces in varying fluidic environments representative of the subsurface environments is essential for engineering field-scale strategies to enhance energy recovery while reducing environmental impacts. In this study, we characterize dynamic wettability alteration at solid surfaces (e.g., calcite, silica and illite) resulting from the self-assembly and adsorption of polyaromatic macromolecules known as asphaltenes in heptane and toluene solvents at 200 bar and 313 K using classical molecular dynamics simulations. These conditions are chosen to be representative of the subsurface environments. On adding asphaltenes, the equilibrium contact angles on calcite, silica and illite surfaces which are in the range of 25–34° increased to 69–79°. The adsorption and self-assembly of asphaltene molecules on the solid surfaces and the accumulation on water/hydrocarbon interfaces reduces the spreading distances of water molecules and enhances the hydrophobicity of the solid surfaces. Moreover, the accumulation of asphaltene molecules at the water/liquid hydrocarbon interfaces results in a reduction of the interfacial tension of water/heptane and water/toluene, thus stabilizing the water droplet. The enhanced surface hydrophobicity contributes to the formation of layered structures of heptane and toluene close to the solid surfaces and reduces the self-diffusivities of these molecules close to the surface.},
doi = {10.1016/j.apsusc.2019.144516},
journal = {Applied Surface Science},
number = C,
volume = 505,
place = {United States},
year = {2019},
month = {11}
}

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