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Atomistic insight into salinity dependent preferential binding of polar aromatics to calcite/brine interface: implications to low salinity waterflooding

Koleini, M. M ; Sharif University of Technology | 2021

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  1. Type of Document: Article
  2. DOI: 10.1038/s41598-021-91402-0
  3. Publisher: Nature Research , 2021
  4. Abstract:
  5. This paper resolve the salinity-dependent interactions of polar components of crude oil at calcite-brine interface in atomic resolution. Molecular dynamics simulations carried out on the present study showed that ordered water monolayers develop immediate to a calcite substrate in contact with a saline solution. Carboxylic compounds, herein represented by benzoic acid (BA), penetrate into those hydration layers and directly linking to the calcite surface. Through a mechanism termed screening effect, development of hydrogen bonding between –COOH functional groups of BA and carbonate groups is inhibited by formation of a positively-charged Na+ layer over CaCO3 surface. Contrary to the common perception, a sodium-depleted solution potentially intensifies surface adsorption of polar hydrocarbons onto carbonate substrates; thus, shifting wetting characteristic to hydrophobic condition. In the context of enhanced oil recovery, an ion-engineered waterflooding would be more effective than injecting a solely diluted saltwater. © 2021, The Author(s)
  6. Keywords:
  8. Source: Scientific Reports ; Volume 11, Issue 1 , 2021 ; 20452322 (ISSN)
  9. URL: https://www.nature.com/articles/s41598-021-91402-0