The emissions of Carbon dioxide into the atmosphere play a key role in global warming and lead to important environmental problems. The enhanced oil recovery (EOR) technique has been used in order to improve both the oil production and the Carbon dioxide sequestration. Nanomaterials such as carbon nanotubes and polymers find applications in capturing, transporting, and storing greenhouse gases. Currently, the U.S. Carbon dioxide-EOR production is about 0.29 million barrels per day. Generally, a reduction in the interfacial tension (IFT) between Carbon dioxide and oil could increase the oil yield in the Carbon dioxide-EOR processes. The understanding of the contact angle and its dependence on the substrate type, pressure, temperature, and salinity is important for tuning the efficiency of the EOR process.
Many approaches based on experiments, theoretical modelling (e.g., density gradient theory), molecular simulations, and machine learning have been useful for the prediction of the bulk and interfacial properties of molecular fluids and porous media. The thermodynamic properties of fluid mixtures play a crucial role in designing physically meaningful models and robust algorithms for simulating multicomponent multiphase flow in subsurface, which is needed for many subsurface applications including petroleum reservoir engineering, Carbon dioxide sequestration, and groundwater preservation. It is also important to know how the system properties are affected by the reaction between Carbon dioxide and water, change in pH, reaction between Carbon dioxide and rock (e.g., basalt), chemisorption of gases in nanomaterials, etc. In this Research Topic, we welcome experimental, theoretical, and molecular simulation studies for obtaining the molecular-level understanding of the processes relevant for gas capture, gas storage in the depleted oil fields, and EOR.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Bulk and interfacial properties of the oil+water+gas systems
• Contact angles for the oil+water+gas+rock (silica, kerogen, clay, calcite, etc.) systems
• Nanomaterials for applications in gas sensing, capture, transport, and storage
Keywords:
Molecular Simulations, Interfacial Tension, Contact Angle, Nanomaterial, Transport
Important Note:
All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
The emissions of Carbon dioxide into the atmosphere play a key role in global warming and lead to important environmental problems. The enhanced oil recovery (EOR) technique has been used in order to improve both the oil production and the Carbon dioxide sequestration. Nanomaterials such as carbon nanotubes and polymers find applications in capturing, transporting, and storing greenhouse gases. Currently, the U.S. Carbon dioxide-EOR production is about 0.29 million barrels per day. Generally, a reduction in the interfacial tension (IFT) between Carbon dioxide and oil could increase the oil yield in the Carbon dioxide-EOR processes. The understanding of the contact angle and its dependence on the substrate type, pressure, temperature, and salinity is important for tuning the efficiency of the EOR process.
Many approaches based on experiments, theoretical modelling (e.g., density gradient theory), molecular simulations, and machine learning have been useful for the prediction of the bulk and interfacial properties of molecular fluids and porous media. The thermodynamic properties of fluid mixtures play a crucial role in designing physically meaningful models and robust algorithms for simulating multicomponent multiphase flow in subsurface, which is needed for many subsurface applications including petroleum reservoir engineering, Carbon dioxide sequestration, and groundwater preservation. It is also important to know how the system properties are affected by the reaction between Carbon dioxide and water, change in pH, reaction between Carbon dioxide and rock (e.g., basalt), chemisorption of gases in nanomaterials, etc. In this Research Topic, we welcome experimental, theoretical, and molecular simulation studies for obtaining the molecular-level understanding of the processes relevant for gas capture, gas storage in the depleted oil fields, and EOR.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Bulk and interfacial properties of the oil+water+gas systems
• Contact angles for the oil+water+gas+rock (silica, kerogen, clay, calcite, etc.) systems
• Nanomaterials for applications in gas sensing, capture, transport, and storage
Keywords:
Molecular Simulations, Interfacial Tension, Contact Angle, Nanomaterial, Transport
Important Note:
All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.