2018
DOI: 10.1103/physrevapplied.10.034064
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Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na+ , Cl ,

Abstract: The underlying wettability alteration mechanism responsible for enhanced oil recovery (EOR) in carbonate reservoir is a long-standing issue for which no consensus has been reached yet. In this paper, we report extensive quantum molecular dynamics simulations to reveal the roles of wettability modifiers Na + , Cl-, Ca 2+ , Mg 2+ , and SO 4 2ions in EOR. Characterizing wettability by contact angle using the work-of-adhesion approach, we find that the calcite surface is strongly hydrophilic, with the first two we… Show more

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Cited by 49 publications
(32 citation statements)
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References 66 publications
(122 reference statements)
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“…The development of such an EDL close to a neutral surface supports the idea that a double layer does not necessarily require the surface to be charged. 25,50 The sharp density peak of Na + ions, as shown in Figure 1d,e, The Journal of Physical Chemistry B Article exceeds that of the Cl − ions in the same layer, resulting in a net positively charged layer in proximity to the calcite surface. Such a compact layer of ions resembles the concept of a Stern layer that would form adjacent to a charged surface.…”
Section: ■ Resultsmentioning
confidence: 96%
“…The development of such an EDL close to a neutral surface supports the idea that a double layer does not necessarily require the surface to be charged. 25,50 The sharp density peak of Na + ions, as shown in Figure 1d,e, The Journal of Physical Chemistry B Article exceeds that of the Cl − ions in the same layer, resulting in a net positively charged layer in proximity to the calcite surface. Such a compact layer of ions resembles the concept of a Stern layer that would form adjacent to a charged surface.…”
Section: ■ Resultsmentioning
confidence: 96%
“…Many recent studies emphasize how the reduction of salinity [4][5][6]14,15 and presence of Mg 2+ and SO 4 2− 2,3,16-23 affect the rock-brine interaction by means of core-scale experiments, including spontaneous imbibition [2][3][4]24,25 and core flooding 5,11,12,17,19,25,26 tests. Moreover, fundamental studies have included zeta potential measurements 12,15,[27][28][29] , contact angle measurements 25,30,31 , density function theory calculations 20,21 and molecular dynamic simulation 14 . Brine composition is typically varied, with the corresponding changes in oil recovery or interfacial properties examined.…”
mentioning
confidence: 99%
“…This is injected to trigger dissolution/precipitation effects from the Ca-Mg exchange (Madland et al 2009(Madland et al , 2011 and adsorption effects of magnesium ions on the calcite surface (Ahsan and Fabricius 2010;Alam et al 2010;Nermoen et al 2018;Liu et al 2018).…”
Section: Description Of Fluidsmentioning
confidence: 99%