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Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
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Atomistic Study of Dynamic Contact Angles in CO2-Water-Silica System
Pengyu Huang1, Luming Shen1, Yixiang Gan1
1School of Civil Engineering , Building J05 , The University of Sydney , Sydney , NSW 2006 , Australia.
Langmuir : the ACS Journal of Surfaces and Colloids
|March 15, 2019
Summary
This study quantifies dynamic contact angles for CO2-water flow in silica, revealing molecular insights into multiphase flow crucial for understanding deep reservoir conditions.
Area of Science:
- Geochemistry
- Physical Chemistry
- Nanotechnology
Background:
- Deep reservoir multiphase flow, particularly involving carbon dioxide (CO2) and water on silica surfaces, presents complex interactions.
- Understanding dynamic wetting is crucial for processes like CO2 sequestration and enhanced oil recovery.
Purpose of the Study:
- To quantify the dynamic contact angle of CO2-water flow in silica channels at various flow velocities.
- To elucidate the molecular mechanisms governing dynamic wetting behavior in porous media.
Main Methods:
- Molecular dynamics (MD) simulations were employed to model the CO2-water-silica system.
- Dynamic contact angles were calculated at six different flow velocities.
- Adsorption-desorption rates of CO2 and water molecules on the silica surface were analyzed.
Main Results:
- Dynamic contact angle values were obtained for the CO2-water-silica system across different velocities.
- Simulation results align with molecular kinetic theory and equilibrium molecular simulations.
- Capillary pressure was predicted using the Young-Laplace equation, and contact angle changes were compared with empirical equations.
Conclusions:
- The study provides a molecular-level understanding of dynamic wetting in CO2-water-silica systems.
- Findings support the application of molecular kinetic theory and equilibrium simulations for predicting dynamic contact angles.
- Results enhance comprehension of nanoscale multiphase flow under reservoir conditions.
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