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    Recent Insights from Computational Materials Chemistry into Interfaces Relevant to Enhanced Oil Recovery

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    Type
    Article
    Authors
    Singh, Nirpendra cc
    Sharma, Sitansh
    Vovusha, Hakkim
    Li, Huifang
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    KAUST Solar Center (KSC)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2019-02-05
    Online Publication Date
    2019-02-05
    Print Publication Date
    2019-04
    Submitted Date
    2018-11-20
    Permanent link to this record
    http://hdl.handle.net/10754/661089
    
    Metadata
    Show full item record
    Abstract
    Efficient usage of earth's limited oil reserves requires fundamental understanding of the interfacial effects governing oil recovery. As experimental access to such knowledge is often limited, modern simulation techniques are constantly gaining relevance in this field of research. This progress report therefore addresses recent studies of materials chemistry dealing with computational approaches to obtain insights into the interaction between rock surfaces, water, and oil components. It aims both at providing a starting point for newcomers to the field and at equipping experts with an overview of new developments. Being the most prominent mineral in oil reservoirs and the main component of sedimentary carbonate rock, special attention is given to interfaces involving calcite (CaCO3). While the research field still develops in two branches with most studies dealing either with rock–water or rock–oil interaction, it will be important to consider also collective effects at general rock–water–oil interfaces in future investigations.
    Citation
    Singh, N., Sharma, S., Vovusha, H., Li, H., & Schwingenschlögl, U. (2019). Recent Insights from Computational Materials Chemistry into Interfaces Relevant to Enhanced Oil Recovery. Advanced Theory and Simulations, 2(4), 1800183. doi:10.1002/adts.201800183
    Sponsors
    The authors thank Mohammed Alotaibi for fruitful discussions. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
    Publisher
    Wiley
    Journal
    Advanced Theory and Simulations
    DOI
    10.1002/adts.201800183
    Additional Links
    https://onlinelibrary.wiley.com/doi/abs/10.1002/adts.201800183
    ae974a485f413a2113503eed53cd6c53
    10.1002/adts.201800183
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS); KAUST Solar Center (KSC)

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