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    Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

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    Name:
    AhmedMohamedSaadThesis-1.pdf
    Size:
    1.126Mb
    Format:
    PDF
    Description:
    Ahmed Saad MS - Thesis
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    Type
    Thesis
    Authors
    Saad, Ahmed Mohamed cc
    Advisors
    Sun, Shuyu cc
    Committee members
    Stenchikov, Georgiy L. cc
    Knio, Omar cc
    Program
    Earth Science and Engineering
    KAUST Department
    Physical Science and Engineering (PSE) Division
    Date
    2016-05
    Embargo End Date
    2017-05-24
    Permanent link to this record
    http://hdl.handle.net/10754/610700
    
    Metadata
    Show full item record
    Access Restrictions
    At the time of archiving, the student author of this thesis opted to temporarily restrict access to it. The full text of this thesis became available to the public after the expiration of the embargo on 2017-05-24.
    Abstract
    In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
    Citation
    Saad, A. M. (2016). Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation. KAUST Research Repository. https://doi.org/10.25781/KAUST-YB1TZ
    DOI
    10.25781/KAUST-YB1TZ
    ae974a485f413a2113503eed53cd6c53
    10.25781/KAUST-YB1TZ
    Scopus Count
    Collections
    Theses; Physical Science and Engineering (PSE) Division; Earth Science and Engineering Program

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