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Spotlight onto surfactant-steam-bitumen interfacial behavior via molecular dynamics simulation
Mohammadali Ahmadi1, Zhangxin Chen2
1Department of Chemical and Petroleum Engineering, Schulich School of Engineering, University of Calgary, Calgary, AB, T2N1T4, Canada. mohammadali.ahmadi@ucalgary.ca.
Scientific Reports
|October 5, 2021
Summary
Anionic surfactants enhance steam-based heavy oil recovery by improving steam-bitumen interactions and reducing interfacial tension. Asphaltene structure significantly influences bitumen interfacial behavior during thermal recovery.
Area of Science:
- Petroleum Engineering
- Materials Science
- Physical Chemistry
Background:
- Heavy oil and bitumen are crucial energy sources requiring thermal recovery methods like steam injection.
- Additives such as surfactants can improve the efficiency of steam-based recovery processes.
- Molecular interactions in surfactant/steam/bitumen systems under high-temperature and high-pressure conditions are not well understood.
Purpose of the Study:
- To investigate the molecular interactions between anionic surfactants, steam, and bitumen under in-situ thermal recovery conditions.
- To assess the phase behavior of surfactant/steam/bitumen systems using Athabasca oil sand composition.
- To examine the effect of asphaltene architecture and surfactant structure on interfacial behavior.
Main Methods:
- Molecular dynamics (MD) simulations were employed to study surfactant-steam-bitumen interactions.
- Real Athabasca oil sand composition was used to model in-situ recovery conditions.
- Analyses included radial distribution functions (RDFs), mean squared displacement (MSD), and interaction energies.
Main Results:
- Surfactant addition to the steam phase improved steam-bitumen interaction energy.
- Surfactants significantly decreased the interfacial tension (IFT) between bitumen and steam, enhancing emulsification.
- Asphaltene architecture (archipelago vs. Island) notably affected the interfacial behavior.
Conclusions:
- Anionic surfactants are effective additives for improving steam-based bitumen recovery.
- Understanding molecular interactions is key to optimizing surfactant performance in thermal recovery.
- Asphaltene structure plays a critical role in the interfacial dynamics of these complex systems.
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