Recent Insights from Computational Materials Chemistry into Interfaces Relevant to Enhanced Oil Recovery
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)KAUST Solar Center (KSC)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2019-02-05Online Publication Date
2019-02-05Print Publication Date
2019-04Submitted Date
2018-11-20Permanent link to this record
http://hdl.handle.net/10754/661089
Metadata
Show full item recordAbstract
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.201800183Sponsors
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
WileyJournal
Advanced Theory and SimulationsAdditional Links
https://onlinelibrary.wiley.com/doi/abs/10.1002/adts.201800183ae974a485f413a2113503eed53cd6c53
10.1002/adts.201800183