Virtual Reality for Visualization of Enhanced Oil Recovery Processes at Nanoscale

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Abstract This work provides an immersive visualization of oil & gas relevant systems and enhanced oil recovery (EOR) processes at the nanoscale by coupling molecular dynamics (MD) simulations with gamming virtual reality (VR) technologies. The main objective is to understand oil/brine/rock interfaces at molecular level and identify the underlying EOR mechanisms at the atomic scale. Within this immersive experience, the user can directly interact and enhance its perception of atomic environment for EOR applications. The experiences cover nano-EOR, nano-IOR and low-salt processes at nanoscale based on MD calculations of nanoparticles at oil-brine interfaces, oil-brine at silica nanopores and calcite-brine-oil interfaces, respectively. The MD simulations are performed with the Lammps package. The visualizations were done with an HTC Vive and Oculus Rift virtual reality headsets with the Nomad VR and Unitymol software. For the Nomad VR, the trajectories are previously saved from a Lammps molecular dynamics simulation, whereas, for the Unitymol, the simulation with Lammps is performed on-the-fly through the iMD (interactive MD) plugin. The user can visualize and navigate through the trajectories using the Nomad VR. Furthermore, the Unitymol also allows the user apply forces on selected molecules on real time during the VR experience. As means of comparison, the visualization was also performed with cell-phone based VR headsets with the Nomad VR application. Our demonstrations show that VR combined with molecular simulations can be an interesting and attractive way to improve the perception of the nanoscale for the general public. Additionally, it is an emergent tool to characterize, improve the understanding and provide molecular insights about nanosystems and the EOR methods, and also to be integrated with on-going digitalization processes within the oil & gas industry.