skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na + , Cl , Ca 2 + , Mg 2 + , and SO 4 2 Ions on Calcite

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1474199
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Name: Physical Review Applied Journal Volume: 10 Journal Issue: 3; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Liu, Jian, Wani, Omar B., Alhassan, Saeed M., and Pantelides, Sokrates T. Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na + , Cl − , Ca 2 + , Mg 2 + , and SO 4 2 − Ions on Calcite. United States: N. p., 2018. Web. doi:10.1103/PhysRevApplied.10.034064.
Liu, Jian, Wani, Omar B., Alhassan, Saeed M., & Pantelides, Sokrates T. Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na + , Cl − , Ca 2 + , Mg 2 + , and SO 4 2 − Ions on Calcite. United States. doi:10.1103/PhysRevApplied.10.034064.
Liu, Jian, Wani, Omar B., Alhassan, Saeed M., and Pantelides, Sokrates T. Thu . "Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na + , Cl − , Ca 2 + , Mg 2 + , and SO 4 2 − Ions on Calcite". United States. doi:10.1103/PhysRevApplied.10.034064.
@article{osti_1474199,
title = {Wettability Alteration and Enhanced Oil Recovery Induced by Proximal Adsorption of Na + , Cl − , Ca 2 + , Mg 2 + , and SO 4 2 − Ions on Calcite},
author = {Liu, Jian and Wani, Omar B. and Alhassan, Saeed M. and Pantelides, Sokrates T.},
abstractNote = {},
doi = {10.1103/PhysRevApplied.10.034064},
journal = {Physical Review Applied},
number = 3,
volume = 10,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevApplied.10.034064

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Crude Oil Adsorbates on Calcite and Quartz Surfaces Investigated by NMR Spectroscopy
journal, September 2017

  • Sørgård, Henrik N.; Totland, Christian; Nerdal, Willy
  • The Journal of Physical Chemistry C, Vol. 121, Issue 38
  • DOI: 10.1021/acs.jpcc.7b07125

Surface Tension Alteration on Calcite, Induced by Ion Substitution
journal, January 2014

  • Sakuma, H.; Andersson, M. P.; Bechgaard, K.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 6
  • DOI: 10.1021/jp411151u

Specific ion effects on the interfacial tension of water/hydrocarbon systems
journal, March 2013


Underlying Mechanism of Time Dependent Surface Properties of Calcite (CaCO 3 ): A Baseline for Investigations of Reservoirs Wettability
journal, December 2015

  • Lai, Chia-Yun; Cozzolino, Monica; Diamanti, Maria Vittoria
  • The Journal of Physical Chemistry C, Vol. 119, Issue 52
  • DOI: 10.1021/acs.jpcc.5b10595

Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions
journal, January 2006

  • Spagnoli, Dino; Cooke, David J.; Kerisit, Sebastien
  • Journal of Materials Chemistry, Vol. 16, Issue 20
  • DOI: 10.1039/b600808a

Interfacial Tension of Alkane + Water Systems
journal, September 2001

  • Zeppieri, Susana; Rodríguez, Jhosgre; López de Ramos, A. L.
  • Journal of Chemical & Engineering Data, Vol. 46, Issue 5
  • DOI: 10.1021/je000245r

Review of Recovery Mechanisms of Ionically Modified Waterflood in Carbonate Reservoirs
journal, December 2015


How Wetting and Adhesion Affect Thermal Conductance of a Range of Hydrophobic to Hydrophilic Aqueous Interfaces
journal, April 2009


Electrowetting on 2D dielectrics: a quantum molecular dynamics investigation
journal, August 2018

  • Liu, Jian; Pantelides, Sokrates T.
  • Journal of Physics: Condensed Matter, Vol. 30, Issue 37
  • DOI: 10.1088/1361-648X/aad838

Density, structure, and dynamics of water: The effect of van der Waals interactions
journal, January 2011

  • Wang, Jue; Román-Pérez, G.; Soler, Jose M.
  • The Journal of Chemical Physics, Vol. 134, Issue 2
  • DOI: 10.1063/1.3521268

Why Is MP2-Water “Cooler” and “Denser” than DFT-Water?
journal, February 2016

  • Willow, Soohaeng Yoo; Zeng, Xiao Cheng; Xantheas, Sotiris S.
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 4
  • DOI: 10.1021/acs.jpclett.5b02430

Energies of the Adsorption of Functional Groups to Calcium Carbonate Polymorphs: The Importance of −OH and −COOH Groups
journal, August 2013

  • Okhrimenko, D. V.; Nissenbaum, J.; Andersson, M. P.
  • Langmuir, Vol. 29, Issue 35
  • DOI: 10.1021/la402305x

Non-monotonicity of the Contact Angle from NaCl and MgCl 2 Concentrations in Two Petroleum Fluids on Atomistically Smooth Surfaces
journal, March 2016


Calcite (104)–water interface structure, revisited
journal, November 2012


Photovoltaic Manipulation of Water Microdroplets on a Hydrophobic LiNbO 3 Substrate
journal, June 2017


The Surface Tension of Solids
journal, May 1950


Modeling Acid Oil Component Interactions with Carbonate Reservoirs: A First-Principles View on Low Salinity Recovery Mechanisms
journal, August 2014

  • Sánchez, Verónica M.; Miranda, Caetano R.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 33
  • DOI: 10.1021/jp505259t

Effect of Ca2+, Mg2+ and SO42− ions on the zeta potential of calcite and dolomite particles aged with stearic acid
journal, October 2015

  • Kasha, Ahmed; Al-Hashim, Hasan; Abdallah, Wael
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 482
  • DOI: 10.1016/j.colsurfa.2015.05.043

International Tables of the Surface Tension of Water
journal, July 1983

  • Vargaftik, N. B.; Volkov, B. N.; Voljak, L. D.
  • Journal of Physical and Chemical Reference Data, Vol. 12, Issue 3
  • DOI: 10.1063/1.555688

Molecular dynamics simulation of oil detachment from calcite surface in aqueous surfactant solution
journal, September 2016


Functional Wettability in Carbonate Reservoirs
journal, October 2016


Molecular dynamics simulation of adsorption of an oil-water-surfactant mixture on calcite surface
journal, February 2009


Interfacial Entropy of Water on Rigid Hydrophobic Surfaces
journal, July 2013

  • Taherian, Fereshte; Leroy, Frédéric; van der Vegt, Nico F. A.
  • Langmuir, Vol. 29, Issue 31
  • DOI: 10.1021/la401995v

Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
journal, December 2015

  • Leroy, Frédéric; Liu, Shengyuan; Zhang, Jianguo
  • The Journal of Physical Chemistry C, Vol. 119, Issue 51
  • DOI: 10.1021/acs.jpcc.5b10267

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
journal, October 1955

  • Mulliken, R. S.
  • The Journal of Chemical Physics, Vol. 23, Issue 10
  • DOI: 10.1063/1.1740588

Interaction of alcohols with the calcite surface
journal, January 2015

  • Bovet, N.; Yang, M.; Javadi, M. S.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 5
  • DOI: 10.1039/C4CP05235H

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface
journal, April 2018

  • Surblys, Donatas; Leroy, Frédéric; Yamaguchi, Yasutaka
  • The Journal of Chemical Physics, Vol. 148, Issue 13
  • DOI: 10.1063/1.5019185

Molecular dynamics simulation investigation of hexanoic acid adsorption onto calcite (<mml:math altimg="si4.gif" overflow="scroll" xmlns:xocs="http://www.elsevier.com/xml/xocs/dtd" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.elsevier.com/xml/ja/dtd" xmlns:ja="http://www.elsevier.com/xml/ja/dtd" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:tb="http://www.elsevier.com/xml/common/table/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:cals="http://www.elsevier.com/xml/common/cals/dtd" xmlns:sa="http://www.elsevier.com/xml/common/struct-aff/dtd"><mml:mrow><mml:mn mathvariant="bold">10</mml:mn><mml:mstyle displaystyle="true"><mml:mrow><mml:mover accent="true"><mml:mrow><mml:mn mathvariant="bold">1</mml:mn></mml:mrow><mml:mrow><mml:mo>¯</mml:mo></mml:mrow></mml:mover></mml:mrow></mml:mstyle><mml:mn mathvariant="bold">4</mml:mn></mml:mrow></mml:math>)surface
journal, February 2015


Effect of Temperature on Wettability of Oil/Brine/Rock Systems
journal, April 2017


Wettability Alteration and Improved Oil Recovery in Chalk:  The Effect of Calcium in the Presence of Sulfate
journal, September 2006

  • Zhang, Peimao; Tweheyo, Medad T.; Austad, Tor
  • Energy & Fuels, Vol. 20, Issue 5
  • DOI: 10.1021/ef0600816

Strontium, Nickel, Cadmium, and Lead Substitution into Calcite, Studied by Density Functional Theory
journal, May 2014

  • Andersson, M. P.; Sakuma, H.; Stipp, S. L. S.
  • Langmuir, Vol. 30, Issue 21
  • DOI: 10.1021/la500832u

Wettability alteration of carbonates—Effects of potential determining ions (Ca2+ and SO42−) and temperature
journal, March 2006

  • Strand, Skule; Høgnesen, Eli J.; Austad, Tor
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 275, Issue 1-3
  • DOI: 10.1016/j.colsurfa.2005.10.061

Adsorption of carboxylate on calcium carbonate ( 10 1 ¯ 4 ) surface: Molecular simulation approach
journal, June 2015

  • Chun, Byeong Jae; Lee, Seung Geol; Choi, Ji Il
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 474
  • DOI: 10.1016/j.colsurfa.2015.03.003

Network equilibration and first-principles liquid water
journal, January 2004

  • Fernández-Serra, M. V.; Artacho, Emilio
  • The Journal of Chemical Physics, Vol. 121, Issue 22
  • DOI: 10.1063/1.1813431

Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis
journal, July 2015

  • Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.
  • The Journal of Chemical Physics, Vol. 143, Issue 4
  • DOI: 10.1063/1.4927083

Direct Prediction of Calcite Surface Wettability with First-Principles Quantum Simulation
journal, October 2017


Surface Tension of Seawater
journal, December 2014

  • Nayar, K. G.; Panchanathan, D.; McKinley, G. H.
  • Journal of Physical and Chemical Reference Data, Vol. 43, Issue 4
  • DOI: 10.1063/1.4899037

Estimation of the surface free energy of polymers
journal, August 1969


Direct Visualization of Single Ions in the Stern Layer of Calcite
journal, February 2013

  • Ricci, Maria; Spijker, Peter; Stellacci, Francesco
  • Langmuir, Vol. 29, Issue 7
  • DOI: 10.1021/la3044736

The SIESTA method for ab initio order- N materials simulation
journal, March 2002

  • Soler, José M.; Artacho, Emilio; Gale, Julian D.
  • Journal of Physics: Condensed Matter, Vol. 14, Issue 11
  • DOI: 10.1088/0953-8984/14/11/302

Water-Based Enhanced Oil Recovery (EOR) by “Smart Water”: Optimal Ionic Composition for EOR in Carbonates
journal, November 2011

  • Fathi, S. Jafar; Austad, T.; Strand, S.
  • Energy & Fuels, Vol. 25, Issue 11
  • DOI: 10.1021/ef201019k

Modelling how incorporation of divalent cations affects calcite wettability–implications for biomineralisation and oil recovery
journal, June 2016

  • Andersson, M. P.; Dideriksen, K.; Sakuma, H.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep28854

Wetting Behavior of Water near Nonpolar Surfaces
journal, October 2013

  • Kumar, Vaibhaw; Errington, Jeffrey R.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 44
  • DOI: 10.1021/jp4084647

Stabilizing Fluid-Fluid Displacements in Porous Media Through Wettability Alteration
journal, May 2015


Influence of HCOO on Calcite Growth from First-Principles
journal, August 2015

  • Addari, Danilo; Satta, Alessandra
  • The Journal of Physical Chemistry C, Vol. 119, Issue 34
  • DOI: 10.1021/acs.jpcc.5b04161

Laboratory Investigation of the Impact of Injection-Water Salinity and Ionic Content on Oil Recovery From Carbonate Reservoirs
journal, October 2011

  • Yousef, Ali A.; Al-Saleh, Salah Hamad; Al-Kaabi, Abdulaziz
  • SPE Reservoir Evaluation & Engineering, Vol. 14, Issue 05
  • DOI: 10.2118/137634-PA

What Is the Contact Angle of Water on Graphene?
journal, January 2013

  • Taherian, Fereshte; Marcon, Valentina; van der Vegt, Nico F. A.
  • Langmuir, Vol. 29, Issue 5
  • DOI: 10.1021/la304645w

Interaction of Ethanol and Water with the {101̅4} Surface of Calcite
journal, September 2010

  • Cooke, D. J.; Gray, R. J.; Sand, K. K.
  • Langmuir, Vol. 26, Issue 18
  • DOI: 10.1021/la100670k

Thin liquid films in improved oil recovery from low-salinity brine
journal, April 2015

  • Myint, Philip C.; Firoozabadi, Abbas
  • Current Opinion in Colloid & Interface Science, Vol. 20, Issue 2
  • DOI: 10.1016/j.cocis.2015.03.002

Microscopic Insight into Surface Wetting: Relations between Interfacial Water Structure and the Underlying Lattice Constant
journal, March 2013


A surface complexation model of the carbonate mineral-aqueous solution interface
journal, August 1993

  • Van Cappellen, Philippe; Charlet, Laurent; Stumm, Werner
  • Geochimica et Cosmochimica Acta, Vol. 57, Issue 15, p. 3505-3518
  • DOI: 10.1016/0016-7037(93)90135-J

Insights into the Mechanism of Wettability Alteration by Low-Salinity Flooding (LSF) in Carbonates
journal, March 2015

  • Mahani, Hassan; Keya, Arsene Levy; Berg, Steffen
  • Energy & Fuels, Vol. 29, Issue 3
  • DOI: 10.1021/ef5023847

Correction of the basis set superposition error in SCF and MP2 interaction energies. The water dimer
journal, June 1986

  • Szczȩśniak, M. M.; Scheiner, Steve
  • The Journal of Chemical Physics, Vol. 84, Issue 11
  • DOI: 10.1063/1.450725

Atomistic Molecular Dynamics Simulations of Carbohydrate–Calcite Interactions in Concentrated Brine
journal, February 2015

  • Chen, Hsieh; Panagiotopoulos, Athanassios Z.; Giannelis, Emmanuel P.
  • Langmuir, Vol. 31, Issue 8
  • DOI: 10.1021/la504595g

Water wettability of graphene: interplay between the interfacial water structure and the electronic structure
journal, January 2018

  • Liu, Jian; Lai, Chia-Yun; Zhang, Yu-Yang
  • RSC Advances, Vol. 8, Issue 30
  • DOI: 10.1039/C8RA03509A

Free Energy of Adsorption of Water and Metal Ions on the {101̄4} Calcite Surface
journal, August 2004

  • Kerisit, Sebastien; Parker, Stephen C.
  • Journal of the American Chemical Society, Vol. 126, Issue 32
  • DOI: 10.1021/ja0487776

Smart Water as Wettability Modifier in Carbonate and Sandstone: A Discussion of Similarities/Differences in the Chemical Mechanisms
journal, September 2009

  • RezaeiDoust, A.; Puntervold, T.; Strand, S.
  • Energy & Fuels, Vol. 23, Issue 9
  • DOI: 10.1021/ef900185q

Wettability and oil recovery from carbonates: Effects of temperature and potential determining ions
journal, May 2006

  • Zhang, Peimao; Austad, Tor
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 279, Issue 1-3
  • DOI: 10.1016/j.colsurfa.2006.01.009

Wettability alteration and improved oil recovery by spontaneous imbibition of seawater into chalk: Impact of the potential determining ions Ca2+, Mg2+, and SO42−
journal, July 2007

  • Zhang, Peimao; Tweheyo, Medad T.; Austad, Tor
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 301, Issue 1-3
  • DOI: 10.1016/j.colsurfa.2006.12.058

Contact angle measurement and contact angle interpretation
journal, September 1999


Effects of low salinity water on calcite/brine interface: A molecular dynamics simulation study
journal, January 2018

  • Koleini, Mohammad Mehdi; Mehraban, Mohammad Fattahi; Ayatollahi, Shahab
  • Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 537
  • DOI: 10.1016/j.colsurfa.2017.10.024

Effect of monovalent and divalent salts on the interfacial tension of pure hydrocarbon-brine systems relevant for low salinity water flooding
journal, August 2017


Inherent wettability of different rock surfaces at nanoscale: a theoretical study
journal, March 2018