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A nanoscale insight into the formation damage of carbonate reservoir due to water incompatibility during smart water injection: a molecular dynamics study

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Abstract

Scale deposition on the rock surface critically influences the performance of the water flooding process in an oil reservoir. Besides altering the pore structure of porous media, the scaling process can significantly modify the distribution of ionic species at the solid–liquid interface, which subsequently changes the rock-brine interaction. Molecular dynamics simulation is utilized in this study to obtain a fundamental insight into the interfacial phenomena responsible for the precipitation and deposition of mineral scales on the calcite surface to resemble the formation damage during smart water flooding of the carbonate oil reservoir. The effect of salinity and ionic composition of injected brine is also investigated. The results indicate that the scale formation strongly controls the contribution of individual divalent ions at the interfacial zone. It has been found that smaller clusters are more prone to be adsorbed in the proximity of the calcite surface, while the larger one is located at a further distance from the rock surface. The association of monovalent ions in the interface is crucial in approaching clusters. This study also points out the profound impact of Mg2+ as an impediment to scale deposition and the effect of monovalent ion concentration on scale formation.

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References

  1. Vazirian MM et al (2016) Surface inorganic scale formation in oil and gas industry: as adhesion and deposition processes. J Petrol Sci Eng 137:22–32

    Article  Google Scholar 

  2. Moghadasi J et al (2004) Formation damage due to scale formation in porous media resulting from water injection. In: SPE international symposium and exhibition on formation damage control. Society of Petroleum Engineers

  3. Ghasemian J et al (2017) Experimental investigation of inorganic scale deposition during smart water injection-a formation damage point of view. In: IOR 2017–19th European symposium on improved oil recovery

  4. Mackay EJ et al (2005) What level of sulphate reduction is required to eliminate the need for scale inhibitor squeezing? In: SPE international symposium on oilfield scale. Society of Petroleum Engineers.

  5. Kargozarfard Z et al (2020) Molecular dynamics simulation of calcium sulfate nucleation in homogeneous and heterogeneous crystallization conditions: an application in water flooding. Ind Eng Chem Res 59:22258–22271

    Article  Google Scholar 

  6. Cheong WC, Gaskell PH, Neville A (2013) Substrate effect on surface adhesion/crystallisation of calcium carbonate. J Cryst Growth 363:7–21

    Article  Google Scholar 

  7. Liu Y et al (2011) Investigation of adhesion of CaCO3 crystalline fouling on stainless steel surfaces with different roughness. Int Commun Heat Mass Transfer 38(6):730–733

    Article  Google Scholar 

  8. Read PA, Ringen JK (1982) The use of laboratory tests to evaluate scaling problems during water injection. In: SPE oilfield and geothermal chemistry symposium. Society of Petroleum Engineers.

  9. Khormali A, Petrakov DG, Moein MJA (2016) Experimental analysis of calcium carbonate scale formation and inhibition in waterflooding of carbonate reservoirs. J Petrol Sci Eng 147:843–850

    Article  Google Scholar 

  10. Mahmoud MA (2014) Evaluating the damage caused by calcium sulfate scale precipitation during low-and high-salinity-water injection. J Can Pet Technol 53(03):141–150

    Article  Google Scholar 

  11. Moghadasi J et al (2007) Scale deposits in porous media and their removal by eDta injection. In: Engineering Conferences International. Tomar, Portugal

  12. Tang G, Morrow NR (1997) Salinity, temperature, oil composition, and oil recovery by waterflooding. SPE Reserv Eng 12(04):269–276

    Article  Google Scholar 

  13. Kwak HT, Yousef AA, Al-Saleh S (2014) New insights on the role of multivalent ions in water-carbonate rock interactions. In: SPE improved oil recovery symposium. Society of Petroleum Engineers

  14. Austad T, Rezaei Doust A, Puntervold T (2010) Chemical mechanism of low salinity water flooding in sandstone reservoirs. In: SPE improved oil recovery symposium. Society of Petroleum Engineers, Richardson

  15. Al-Saedi HN, Flori RE (2019) Effect of divalent cations in low salinity water flooding in sandstone reservoirs. J Mol Liq 283:417–426

    Article  Google Scholar 

  16. Karimi M et al (2016) Impact of sulfate ions on wettability alteration of oil-wet calcite in the absence and presence of cationic surfactant. Energy Fuels 30(2):819–829

    MathSciNet  Google Scholar 

  17. Myint PC, Firoozabadi A (2015) Thin liquid films in improved oil recovery from low-salinity brine. Curr Opin Colloid Interface Sci 20(2):105–114

    Article  Google Scholar 

  18. Mahani H et al (2015) Insights into the mechanism of wettability alteration by low-salinity flooding (LSF) in carbonates. Energy Fuels 29(3):1352–1367

    Article  Google Scholar 

  19. Austad T et al (2015) Low salinity EOR effects in limestone reservoir cores containing anhydrite: a discussion of the chemical mechanism. Energy Fuels 29(11):6903–6911

    Article  Google Scholar 

  20. Mehraban MF, Ayatollahi S, Sharifi M (2019) Role of divalent ions, temperature, and crude oil during water injection into dolomitic carbonate oil reservoirs. Oil Gas Sci Technol Rev D’IFP Energ Nouv 74:36

    Article  Google Scholar 

  21. Buckley JS, Liu Y (1998) Some mechanisms of crude oil/brine/solid interactions. J Petrol Sci Eng 20(3):155–160

    Article  Google Scholar 

  22. Namaee-Ghasemi A et al (2021) Geochemical simulation of wettability alteration and effluent ionic analysis during smart water flooding in carbonate rocks: Insights into the mechanisms and their contributions. J Mol Liq 326:114854

    Article  Google Scholar 

  23. Maghsoudian A et al (2020) Direct insights into the micro and macro scale mechanisms of symbiotic effect of SO42−, Mg2+, and Ca2+ ions concentration for smart waterflooding in the carbonated coated micromodel system. J Mol Liq 315:113700

    Article  Google Scholar 

  24. Austad T et al (2012) Conditions for a low-salinity enhanced oil recovery (EOR) effect in carbonate oil reservoirs. Energy Fuels 26(1):569–575

    Article  Google Scholar 

  25. Shariatpanahi SF, Strand S, Austad T (2011) Initial wetting properties of carbonate oil reservoirs: effect of the temperature and presence of sulfate in formation water. Energy Fuels 25(7):3021–3028

    Article  Google Scholar 

  26. Corn M (1961) The adhesion of solid particles to solid surfaces I: a review. J Air Pollut Control Assoc 11:523–528

    Article  Google Scholar 

  27. Bartels W-B et al (2019) Literature review of low salinity waterflooding from a length and time scale perspective. Fuel 236:338–353

    Article  Google Scholar 

  28. Jiménez-Ángeles F, Firoozabadi A (2016) Contact angle, liquid film, and liquid-liquid and liquid-solid interfaces in model oil–brine–substrate systems. J Phys Chem C 120(22):11910–11917

    Article  Google Scholar 

  29. Koleini MM et al (2019) Interactions between rock/brine and oil/brine interfaces within thin brine film wetting carbonates: a molecular dynamics simulation study. Energy Fuels 33(9):7983–7992

    Article  Google Scholar 

  30. Sánchez VNM, Miranda CR (2014) Modeling acid oil component interactions with carbonate reservoirs: a first-principles view on low salinity recovery mechanisms. J Phys Chem C 118(33):19180–19187

    Article  Google Scholar 

  31. Sedghi M, Piri M, Goual L (2016) Atomistic molecular dynamics simulations of crude oil/brine displacement in calcite mesopores. Langmuir 32(14):3375–3384

    Article  Google Scholar 

  32. Koleini MM et al (2019) An atomistic insight into the implications of ion-tuned water injection in wetting preferences of carbonate reservoirs. J Mol Liq 293:111530

    Article  Google Scholar 

  33. Mohammed S, Gadikota G (2020) Dynamic wettability alteration of calcite, silica and illite surfaces in subsurface environments: a case study of asphaltene self-assembly at solid interfaces. Appl Surf Sci 505:144516

    Article  Google Scholar 

  34. Mirzaalian Dastjerdi A et al (2019) Microscopic insight into kinetics of inorganic scale deposition during smart water injection using dynamic quartz crystal microbalance and molecular dynamics simulation. Ind Eng Chem Res 59(2):609–619

    Article  Google Scholar 

  35. Yousef AA et al (2011) Laboratory investigation of the impact of injection-water salinity and ionic content on oil recovery from carbonate reservoirs. SPE Reserv Eval Eng 14(05):578–593

    Article  Google Scholar 

  36. Donnini S et al (2016) Charge-neutral constant ph molecular dynamics simulations using a parsimonious proton buffer. J Chem Theory Comput 12(3):1040–1051

    Article  Google Scholar 

  37. Xiao S, Edwards SA, Gräter F (2011) A new transferable forcefield for simulating the mechanics of CaCO3 crystals. J Phys Chem C 115(41):20067–20075

    Article  Google Scholar 

  38. Heberling F et al (2014) Reactivity of the calcite–water-interface, from molecular scale processes to geochemical engineering. Appl Geochem 45:158–190

    Article  Google Scholar 

  39. Alejandre J et al (2009) The short range anion-H interaction is the driving force for crystal formation of ions in water. J Chem Phys 130(17):174505

    Article  Google Scholar 

  40. Aqvist J (1990) Ion-water interaction potentials derived from free energy perturbation simulations. J Phys Chem 94(21):8021–8024

    Article  Google Scholar 

  41. Williams CD et al (2014) The development of a classical force field to determine the selectivity of an Aqueous Fe3+–Eda Complex for TcO4and So42−. J Chem Theory Comput 10(8):3345–3353

    Article  Google Scholar 

  42. Koleini MM, Ayatollahi S (2019) The impact of salinity on ionic characteristics of thin brine film wetting carbonate minerals: an atomistic insight. Colloids Surf A 571:27–35

    Article  Google Scholar 

  43. Kirch A et al (2018) Fresh molecular look at calcite-brine nanoconfined interfaces. J Phys Chem C 122(11):6117–6127

    Article  Google Scholar 

  44. Ohnishi S, Stewart A (2002) Humidity dependence of interfacial friction between mica surfaces. Langmuir 18(16):6140–6146

    Article  Google Scholar 

  45. Ricci M et al (2013) Direct visualization of single ions in the stern layer of calcite. Langmuir 29(7):2207–2216

    Article  Google Scholar 

  46. Koleini MM et al (2019) The impact of salinity on ionic characteristics of thin brine film wetting carbonate minerals: an atomistic insight. Colloids Surf A 571:27–35

    Article  Google Scholar 

  47. Seeger ZL, Kobayashi R, Izgorodina EI (2018) Cluster approach to the prediction of thermodynamic and transport properties of ionic liquids. J Chem Phys 148(19):193832

    Article  Google Scholar 

  48. Vehkamäki H, Ford IJ (2000) Critical cluster size and droplet nucleation rate from growth and decay simulations of Lennard-Jones clusters. J Chem Phys 112(9):4193–4202

    Article  Google Scholar 

  49. Voigt W (2015) What we know and still not know about oceanic salts. Pure Appl Chem 87(11–12):1099–1126

    Article  Google Scholar 

  50. Freyer D, Voigt W (2003) Crystallization and phase stability of CaSO4 and CaSO4–based salts. Mon für Chem/Chem Mon 134(5):693–719

    Article  Google Scholar 

  51. Kushnir J (1980) The coprecipitation of strontium, magnesium, sodium, potassium and chloride ions with gypsum. An experimental study. Geochim et Cosmochim Acta 44(10):1471–1482

    Article  Google Scholar 

  52. Abbasi S, Khamehchi E (2021) Experimental investigation of competitive mechanisms of precipitation and dissolution due to seawater and low salinity water injection in carbonate reservoirs. J Mol Liq 324:114767

    Article  Google Scholar 

  53. Rodriguez-Navarro C et al (2015) Formation of amorphous calcium carbonate and its transformation into mesostructured calcite. Cryst Eng Comm 17(1):58–72

    Article  Google Scholar 

  54. Nielsen MR et al (2016) Inhibition of calcite growth: combined effects of Mg2+ and SO42–. Cryst Growth Des 16(11):6199–6207

    Article  Google Scholar 

  55. Dobberschütz S et al (2018) The mechanisms of crystal growth inhibition by organic and inorganic inhibitors. Nat Commun 9(1):1–6

    Article  MathSciNet  Google Scholar 

  56. Nancollas GH, Sawada K (1982) Formation of scales of calcium carbonate polymorphs: the influence of magnesium ion and inhibitors. J Petrol Technol 34(03):645–652

    Article  Google Scholar 

  57. Zhang Z, Jia Y, Zhao J (2020) Effect of magnesium ion concentration on the scale inhibition of heat exchanger in circulating cooling water under alternating electric field. Appl Sci 10(16):5491

    Article  Google Scholar 

  58. Nielsen LC, De Yoreo JJ, DePaolo DJ (2013) General model for calcite growth kinetics in the presence of impurity ions. Geochim Cosmochim Acta 115:100–114

    Article  Google Scholar 

  59. Davis KJ, Dove PM, De Yoreo JJ (2000) The role of Mg2+ as an impurity in calcite growth. Science 290(5494):1134–1137

    Article  Google Scholar 

  60. Azam A et al (2009) Compactness determines the success of cube and octahedron self-assembly. PLoS ONE 4(2):e4451

    Article  MathSciNet  Google Scholar 

  61. Liu B et al (2017) Mechanism of asphaltene aggregation induced by supercritical CO2: insights from molecular dynamics simulation. RSC Adv 7(80):50786–50793

    Article  Google Scholar 

  62. Arnittali M, Rissanou AN, Harmandaris V (2019) Structure of biomolecules through molecular dynamics simulations. Proced Comput Sci 156:69–78

    Article  Google Scholar 

  63. Hoepfner MP et al (2013) The fractal aggregation of asphaltenes. Langmuir 29(28):8799–8808

    Article  Google Scholar 

  64. Hammond CB, Wang D, Wu L (2020) Precipitant effects on aggregates structure of asphaltene and their implications for groundwater remediation. Water 12(8):2116

    Article  Google Scholar 

  65. Amin JS et al (2011) Investigating the effect of different asphaltene structures on surface topography and wettability alteration. Appl Surf Sci 257(20):8341–8349

    Article  Google Scholar 

  66. Svoboda M, Lísal M (2018) Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: insight from molecular dynamics simulations. J Chem Phys 148(22):222806

    Article  Google Scholar 

  67. Magerl D et al (2015) Influence of confinement on the chain conformation of cyclic poly (n-isopropylacrylamide). ACS Macro Lett 4(12):1362–1365

    Article  Google Scholar 

  68. Chremos A et al (2010) Adsorption of star polymers: computer simulations. Soft Matter 6(7):1483–1493

    Article  Google Scholar 

  69. Saha A et al (2012) New Insights into the transformation of calcium sulfate hemihydrate to gypsum using time-resolved cryogenic transmission electron microscopy. Langmuir 28(30):11182–11187

    Article  Google Scholar 

  70. Oliveira R (1997) Understanding adhesion: a means for preventing fouling. Exp Therm Fluid Sci 14(4):316–322

    Article  MathSciNet  Google Scholar 

  71. Luo L, Chu L, Fwa TF (2020) Molecular dynamics analysis of moisture effect on asphalt-aggregate adhesion considering anisotropic mineral surfaces. Appl Surf Sci 527:146830

    Article  Google Scholar 

  72. Derkani MH et al (2019) Mechanisms of surface charge modification of carbonates in aqueous electrolyte solutions. Colloids and Interfaces 3(4):62

    Article  Google Scholar 

  73. Mahrouqi D, Vinogradov J, Jackson M (2017) Zeta potential of artificial and natural calcites in aqueous solution. Adv Colloid Interface Sci 240:60

    Article  Google Scholar 

  74. Hunter RJ (2013) Zeta potential in colloid science: principles and applications. Academic press, Cambridge, p 2

    Google Scholar 

  75. Ahmadi P et al (2019) A new approach for determination of carbonate rock electrostatic double layer variation towards wettability alteration. J Mol Liq 275:682–698

    Article  Google Scholar 

  76. Israelachvili JN (2011) Intermolecular and surface forces. Academic press, Cambridge, p 14

    Google Scholar 

  77. Elimelech M, Gregory J, Jia X (2013) Particle deposition and aggregation: measurement, modelling and simulation. Butterworth-Heinemann, Oxford

    Google Scholar 

  78. Elimelech M et al (1995) Introduction. In: Elimelech M et al (eds) Particle deposition and aggregation. Butterworth-Heinemann, Oxford, pp 3–8

    Google Scholar 

  79. Nikoo AH, Kalantariasl A, Malayeri MR (2020) Propensity of gypsum precipitation using surface energy approach. J Mol Liq 300:112320

    Article  Google Scholar 

  80. Rashid S et al (2015) Wettability alteration in carbonates during “smart waterflood”: underlying mechanisms and the effect of individual ions. Colloids Surf, A 487:142–153

    Article  Google Scholar 

  81. Döpke MF et al (2019) Preferential adsorption in mixed electrolytes confined by charged amorphous silica. J Phys Chem C 123(27):16711–16720

    Article  Google Scholar 

  82. Luzar A, Chandler D (1996) Effect of environment on hydrogen bond dynamics in liquid water. Phys Rev Lett 76(6):928

    Article  Google Scholar 

  83. Abbasi P, Abbasi S, Moghadasi J (2020) Experimental investigation of mixed-salt precipitation during smart water injection in the carbonate formation. J Mol Liq 299:112131

    Article  Google Scholar 

  84. Chang X et al (2018) Inherent wettability of different rock surfaces at nanoscale: a theoretical study. Appl Surf Sci 434:73–81

    Article  Google Scholar 

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Tarbiat Modares University, Vice president of Research, Zahra Kargozarfard, Technology, Zahra Kargozarfard.

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Kargozarfard, Z., Haghtalab, A. & Ayatollahi, S. A nanoscale insight into the formation damage of carbonate reservoir due to water incompatibility during smart water injection: a molecular dynamics study. Comp. Part. Mech. 10, 887–910 (2023). https://doi.org/10.1007/s40571-022-00534-1

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