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Enhanced Oil Recovery (EOR)
Enhanced Oil Recovery (EOR)
It is well-known that a significant portion of military equipment, including vehicles, aircraft, and naval vessels, require crude oil-based fuels for their operations.
What if we don't have enough crude oil to fuel them?
This is just an example. In reality, the reliance on crude oil extends to various essential aspects of our daily lives, making it impossible to envision a world without its presence.
We are working towards tackling the challenges associated with crude oil extraction.
Milestones Achieved Thus Far
Milestones Achieved Thus Far
Understanding Crude Oil–Rock Interactions for EOR
Understanding Crude Oil–Rock Interactions for EOR
Investigated the adsorption of light crude oil on the ubiquitous reservoir surfaces and provided guidelines for solvent design for EOR.
Investigated how crude oil molecules interact with carbonate, clay-type, and sandstone reservoir surfaces using molecular simulations.
Revealed the molecular mechanisms governing oil adsorption, interfacial structure, and interaction energetics.
Identified the role of surface chemistry and exposed surface atoms in controlling oil adhesion.
Provided molecular-level insights for designing more efficient solvents for EOR.
For More Details:
1) Prashil Badwaik, Shubham Chobe, and Ateeque Malani, Energy & Fuels 37, 20, 15523-15536, 2023.
Molecular Mechanisms of Heavy Components (Asphaltene & Resin) Adsorption on Rock Surfaces
Molecular Mechanisms of Heavy Components (Asphaltene & Resin) Adsorption on Rock Surfaces
Quantified the thermodynamics of asphaltene adsorption on carbonate reservoir surfaces to enable the rational design of chemicals for asphaltene mitigation.
Investigated the adsorption behavior of different asphaltene and resin molecules on carbonate reservoir surfaces using molecular dynamics simulations.
Quantified adsorption free energies and adsorption/desorption barriers using umbrella sampling.
Revealed how molecular architecture and functional groups govern asphaltene adsorption at the mineral surface.
Provided molecular insights for the design of solvents and sorbents to mitigate asphaltene deposition in enhanced oil recovery and flow assurance.
For More Details:
1) Prashil Badwaik, Shubham Chobe, and Ateeque Malani, Energy & Fuels, 38, 18, 17355-17369, 2024.
2) Shubham Chobe, Prashil Badwaik, and Ateeque Malani, Fluid Phase Equilibria, 591, 114295, 2025.
3) Prashil Badwaik, Shubham Chobe, and Ateeque Malani, Industrial & Engineering Chemistry Research, 65, 25, 13480-1349, 2026.
Classical Force Field Models of Metal Oxides and pH-resolved surfaces
Classical Force Field Models of Metal Oxides and pH-resolved surfaces
Developed an accurate all-atom force field for iron oxide surfaces and investigated polymer adsorption to enable the molecular design of sustainable protective coatings for metals.
Developed accurate all-atom INTERFACE Force Field (IFF) models for iron oxide polymorphs and pH-resolved surfaces.
Quantified bulk, surface, mechanical, and interfacial properties through force-field validation and adsorption studies.
Investigated polymer (and Oil) adsorption and molecular interactions at metal oxide interfaces using molecular simulations.
Enabled the computational design and screening of sustainable protective coatings for corrosion-resistant metals.
For More Details:
1) Prashil Badwaik, Samir Darouich, Cheng Zhu, Karnajit Sen, Eduard Schreiner, Patrick Keil, Ateeque Malani, Hendrik Heinz, and Ratan K Mishra, "Accurate Force Fields of Iron Oxide Polymorphs and pH-Resolved Surface: From Model Development to Application", 2026. (Manuscript Under Preparation)
Combined Grand Canonical Monte Carlo–Molecular Dynamics (GCMC–MD) Methodology
Combined Grand Canonical Monte Carlo–Molecular Dynamics (GCMC–MD) Methodology
Developed a combined GCMC–MD simulation methodology to understand the molecular mechanisms governing crude oil delamination during solvent flooding.
Developed and validated the simulation methodology.
Investigated solvent-induced crude oil delamination from reservoir rock surfaces at the molecular scale.
Quantified the thermodynamics and molecular mechanisms governing solvent injection, oil displacement, interfacial behavior, and phase reversal.
Ongoing research (details are confidential).
For More Details:
1) Prashil Badwaik, Shubham Chobe, Bablu Meghwal, and Ateeque Malani, "Why CO2 EOR is Favorable in Light-Oil Reservoirs and Not in Heavy-Oil Reservoirs?.", 2026. (Manuscript Under Preparation)
Details of ongoing Research will be updated soon!
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