Advertisement

Modeling the evolved microstructure of cement pastes governed by diffusion through barrier shells of C–S–H

  • W. Zhou
  • L. Duan
  • S. W. Tang
  • E. Chen
  • A. Hanif
Composites
  • 55 Downloads

Abstract

A microstructure model combined with diffusion-based mechanism is reconstructed. The objective is to propose a model that could describe the long-term microstructure evolution driven by certain physical mechanisms. With modifications in parametric control, the introduced kinetics is extended to directly consider the particle size distribution (PSD) of cement (alite). The particle impingement is analyzed for the effects of PSD and water-to-cement ratio (w/c ratio). The variations of C–S–H bulk density and hydrates distribution under different temperature are explored in the microstructural modeling. Numerical results for effects of PSD, w/c ratio, temperature, as well as the ambient humidity are obtained and compared with experimental results. Validations especially for early hydration prove that the current model could capture characteristics regarding hydration and evolved microstructure from hours to years.

Notes

Acknowledgements

This work was supported by National Key R&D Program of China [Grant Numbers 2017YFB0310000]; National Natural Science Foundation of China [Grant Numbers 51602229]; Jiangsu Province Natural Science Foundation [Grant Numbers BK20181187]; State Key Laboratory of High Performance Civil Engineering Materials [Grant Numbers 2018CEM011].

References

  1. 1.
    Parisatto M, Dalconi MC, Valentini L, Artioli G, Rack A, Tucoulou R, Cruciani G, Ferrari G (2015) Examining microstructural evolution of Portland cements by in situ synchrotron micro-tomography. J Mater Sci 50(4):1805–1817.  https://doi.org/10.1007/s10853-014-8743-9 CrossRefGoogle Scholar
  2. 2.
    Tang SW, Yao Y, Andrade C, Li ZJ (2015) Recent durability studies on concrete structure. Cem Concr Res 78:143–154CrossRefGoogle Scholar
  3. 3.
    Tang SW, Cai XH, He Z, Zhou W, Shao HY, Li ZJ, Wu T, Chen E (2017) The review of early hydration of cement-based materials by electrical methods. Constr Build Mater 146:15–29CrossRefGoogle Scholar
  4. 4.
    Jin Y, Stephan D (2018) Hydration kinetics of Portland cement in the presence of vinyl acetate ethylene latex stabilized with polyvinyl alcohol. J Mater Sci 53(10):7417–7430.  https://doi.org/10.1007/s10853-018-2074-1 CrossRefGoogle Scholar
  5. 5.
    Bentz DP (1997) Three-dimensional computer simulation of portland cement hydration and microstructure development. J Am Ceram Soc 80(1):3–21CrossRefGoogle Scholar
  6. 6.
    Bullard JW, Lothenbach B, Stutzman PE, Snyder KA (2011) Coupling thermodynamics and digital image models to simulate hydration and microstructure development of portland cement pastes. J Mater Res 26(4):609–622CrossRefGoogle Scholar
  7. 7.
    Maekawa K, Chaube R, Kishi T (1999) Modelling of concrete performance. E&FN Spon, LondonGoogle Scholar
  8. 8.
    Van Breugel K (1993) Simulation of hydration and formation of structure in hardening cement-based materials. Ph.D thesis, Delft University PressGoogle Scholar
  9. 9.
    Navi P, Pignat C (1996) Simulation of cement hydration and the connectivity of the capillary pore space. Adv Cem Based Mater 4(2):58–67CrossRefGoogle Scholar
  10. 10.
    Bishnoi S (2008) Vector modelling of hydrating cement microstructure and kinetics. Ph.D thesis, École Polytechnique Fédérale de LausannGoogle Scholar
  11. 11.
    De Korte ACJ, Brouwers HJH (2013) A cellular automata approach to chemical reactions; 1 Reaction controlled systems. Chem Eng J 228:172–178CrossRefGoogle Scholar
  12. 12.
    Bui DD (2001) Rice husk ash a mineral admixture for high performance concrete. Ph.D thesis, Delft University PressGoogle Scholar
  13. 13.
    Le NLB, Stroeven M, Sluys LJ, Stroeven P (2013) A novel numerical multi-component model for simulating hydration of cement. Comput Mater Sci 78:12–21CrossRefGoogle Scholar
  14. 14.
    Jennings HM, Johnson SK (1986) Simulation of microstructure development during the hydration of a cement compound. J Am Ceram Soc 69(11):790–795CrossRefGoogle Scholar
  15. 15.
    Bishnoi S, Scrivener KL (2009) uic: a new platform for modelling the hydration of cements. Cem Concr Res 39(4):266–274CrossRefGoogle Scholar
  16. 16.
    Thomas JJ, Biernacki JJ, Bullard JW, Bishnoi S, Dolado JS, Scherer GW, Luttge A (2011) Modeling and simulation of cement hydration kinetics and microstructure development. Cem Concr Res 41(12):1257–1278CrossRefGoogle Scholar
  17. 17.
    Bishnoi S, Scrivener KL (2009) Studying nucleation and growth kinetics of alite hydration using μic. Cem Concr Res 39(10):849–860CrossRefGoogle Scholar
  18. 18.
    Wyrzykowski M, McDonald PJ, Scrivener KL, Lura P (2017) Water redistribution within the microstructure of cementitious materials due to temperature changes studied with 1H NMR. J Phys Chem C 121(50):27950–27962CrossRefGoogle Scholar
  19. 19.
    Scrivener KL, Juilland P, Monteiro PJM (2015) Advances in understanding hydration of Portland cement. Cem Concr Res 78:38–56CrossRefGoogle Scholar
  20. 20.
    Zhou W, Zhao C, Liu X, Chang X, Feng C (2017) Mesoscopic simulation of thermo-mechanical behaviors in concrete under frost action. Constr Build Mater 157:117–131CrossRefGoogle Scholar
  21. 21.
    Gallucci E, Zhang X, Scrivener KL (2013) Effect of temperature on the microstructure of calcium silicate hydrate (C-S-H). Cem Concr Res 53:185–195CrossRefGoogle Scholar
  22. 22.
    Rahimi-Aghdam S, Bažant ZP, Qomi MJA (2017) Cement hydration from hours to centuries controlled by diffusion through barrier shells of C-S-H. J Mech Phys Solids 99:211–224CrossRefGoogle Scholar
  23. 23.
    Ma H (2013) Multi-scale modeling of the microstructure and transport properties of contemporary concrete. Ph.D thesis, The Hong Kong University of Science and TechnologyGoogle Scholar
  24. 24.
    Ma H, Li Z (2013) Realistic pore structure of Portland cement paste: experimental study and numerical simulation. Comput Concr 11(4):317–336CrossRefGoogle Scholar
  25. 25.
    Ma H, Tang S, Li Z (2015) New pore structure assessment methods for cement paste. J Mater Civ Eng 27(2):A4014002CrossRefGoogle Scholar
  26. 26.
    Zhou W, Feng C, Liu X, Liu S, Zhang C (2016) A macro-meso chemo-physical analysis of early-age concrete based on a fixed hydration model. Mag Concr Res 68(19):981–994CrossRefGoogle Scholar
  27. 27.
    Bažant ZP, Donmez MA, Masoero E, Aghdam SR (2015) Interaction of concrete creep, shrinkage and swelling with water, hydration and damage: nano-macro-chemo. In: 10th international conference on mechanics and physics of creep, shrinkage, and durability of concrete and concrete structures.  https://doi.org/10.1061/9780784479346.001
  28. 28.
    Koenigsberger M, Hellmich C, Pichler B (2016) Densification of C-S-H is mainly driven by available precipitation space, as quantified through an analytical cement hydration model based on NMR data. Cem Concr Res 88:170–183CrossRefGoogle Scholar
  29. 29.
    Gawin D, Pesavento F, Schrefler BA (2006) Hygro-thermo-chemo-mechanical modelling of concrete at early ages and beyond. Part I: hydration and hygro-thermal phenomena. Int J Numer Meth Eng 67(3):299–331CrossRefGoogle Scholar
  30. 30.
    Knudsen T (1983) Modelling hydration of portland cement: the effect of particle size distribution. In: Proceedings of the engineering foundation conferenceGoogle Scholar
  31. 31.
    Sanahuja J, Dormieux L, Chanvillard G (2007) Modelling elasticity of a hydrating cement paste. Cem Concr Res 37(10):1427–1439CrossRefGoogle Scholar
  32. 32.
    Bejaoui S, Bary B (2007) Modeling of the link between microstructure and effective diffusivity of cement pastes using a simplified composite model. Cem Concr Res 37(3):469–480CrossRefGoogle Scholar
  33. 33.
    Ma L, Zhang Y (2017) Microstructure-based prediction model for chloride ion diffusivity in hydrated cement paste. Ceram Silik 61(2):110–118Google Scholar
  34. 34.
    Kjellsen KO, Detwiler RJ, Gjorv OE (1991) Development of microstructures in plain cement pastes hydrated at different temperatures. Cem Concr Res 21(1):179–189CrossRefGoogle Scholar
  35. 35.
    Elkhadiri I, Puertas F (2008) The effect of curing temperature on sulphate-resistant cement hydration and strength. Constr Build Mater 22(7):1331–1341CrossRefGoogle Scholar
  36. 36.
    Du Y, Chang YA, Huang BY, Gong WP, Jin ZP, Xu HH, Yuan ZH, Liu Y, He YH, Xie FY (2003) Diffusion coefficients of some solutes in fcc and liquid Al: critical evaluation and correlation. Mater Sci Eng, A 363(1–2):140–151CrossRefGoogle Scholar
  37. 37.
    Shcherbak L, Kopach O, Fochuk P, Bolotnikov AE, James RB (2015) Empirical correlations between the Arrhenius’ parameters of impurities’ diffusion coefficients in CdTe crystals. J Phase Equilib Diffus 36(2):99–109CrossRefGoogle Scholar
  38. 38.
    Patel HH, Bland CH, Poole AB (1995) The microstructure of concrete cured at elevated-temperatures. Cem Concr Res 25(3):485–490CrossRefGoogle Scholar
  39. 39.
    Flatt RJ, Scherer GW, Bullard JW (2011) Why alite stops hydrating below 80% relative humidity. Cem Concr Res 41(9):987–992CrossRefGoogle Scholar
  40. 40.
    Wyrzykowski M, Lura P (2016) Effect of relative humidity decrease due to self-desiccation on the hydration kinetics of cement. Cem Concr Res 85:75–81CrossRefGoogle Scholar
  41. 41.
    Fernández MMC (2008) Effect of particle size on the hydration kinetics and microstructural development of tricalcium silicate. Ph.D thesis, Ecole Polytechnique Fédérale de LausanneGoogle Scholar
  42. 42.
    Guang YE (2003) Experimental study and numerical simulation of the development of the microstructure and permeability of cementitious materials. Ph.D thesis, Delft University of TechnologyGoogle Scholar
  43. 43.
    Zhang M, He Y, Ye G, Lange DA, van Breugel K (2012) Computational investigation on mass diffusivity in Portland cement paste based on X-ray computed microtomography (mu CT) image. Constr Build Mater 27(1):472–481CrossRefGoogle Scholar
  44. 44.
    Bullard JW (2008) A determination of hydration mechanisms for tricalcium silicate using a kinetic cellular automaton model. J Am Ceram Soc 91(7):2088–2097CrossRefGoogle Scholar
  45. 45.
    Bentz DP (2006) Influence of water-to-cement ratio on hydration kinetics: simple models based on spatial considerations. Cem Concr Res 36(2):238–244CrossRefGoogle Scholar
  46. 46.
    Pang X, Bentz DP, Meyer C, Funkhouser GP, Darbe R (2013) A comparison study of Portland cement hydration kinetics as measured by chemical shrinkage and isothermal calorimetry. Cem Concr Compos 39:23–32CrossRefGoogle Scholar
  47. 47.
    Bentz DP, Stutzman PE (2006) Curing, hydration, and microstructure of cement paste. ACI Mater J 103(5):348–356Google Scholar
  48. 48.
    Wong HS, Head MK, Buenfeld NR (2006) Pore segmentation of cement-based materials from backscattered electron images. Cem Concr Res 36(6):1083–1090CrossRefGoogle Scholar
  49. 49.
    Bazzoni A (2014) Study of early hydration mechanisms of cement by means of electron microscopy. Ph.D thesis, Lausanne, EPFLGoogle Scholar
  50. 50.
    Tang SW, Cai XH, He Z, Shao HY, Li ZJ, Chen E (2016) Hydration process of fly ash blended cement pastes by impedance measurement. Constr Build Mater 113:939–950CrossRefGoogle Scholar
  51. 51.
    Honorio T, Bary B, Benboudjema F, Poyet S (2016) Modeling hydration kinetics based on boundary nucleation and space-filling growth in a fixed confined zone. Cem Concr Res 83:31–44CrossRefGoogle Scholar
  52. 52.
    Berliner R, Popovici M, Herwig KW, Berliner M, Jennings HM, Thomas JJ (1998) Quasielastic neutron scattering study of the effect of water-to-cement ratio on the hydration kinetics of tricalcium silicate. Cem Concr Res 28(2):231–243CrossRefGoogle Scholar
  53. 53.
    Pang X (2011) Effects of curing temperature and pressure on the chemical, physical, and mechanical properties of Portland cement. Ph.D thesis, Columbia UniversityGoogle Scholar
  54. 54.
    Bentz DP, Jensen OM, Hansen KK, Olesen JF, Stang H, Haecker CJ (2001) Influence of cement particle-size distribution on early age autogenous strains and stresses in cement-based materials. J Am Ceram Soc 84(1):129–135CrossRefGoogle Scholar
  55. 55.
    Liu L, Ye G, Schlangen E, Chen H, Qian Z, Sun W, van Breugel K (2011) Modeling of the internal damage of saturated cement paste due to ice crystallization pressure during freezing. Cem Concr Compos 33(5):562–571CrossRefGoogle Scholar
  56. 56.
    Craeye B, De Schutter G, Desmet B, Vantomme J, Heirman G, Vandewalle L, Cizer O, Aggoun S, Kadri EH (2010) Effect of mineral filler type on autogenous shrinkage of self-compacting concrete. Cem Concr Res 40(6):908–913CrossRefGoogle Scholar
  57. 57.
    Termkhajornkit P, Barbarulo R (2012) Modeling the coupled effects of temperature and fineness of Portland cement on the hydration kinetics in cement paste. Cem Concr Res 42(3):526–538CrossRefGoogle Scholar
  58. 58.
    Bahafid S, Ghabezloo S, Duc M, Faure P, Sulem J (2017) Effect of the hydration temperature on the microstructure of Class G cement: C-S-H composition and density. Cem Concr Res 95:270–281CrossRefGoogle Scholar
  59. 59.
    Parcevaux P (1984) Pore-size distribution of Portland-cement slurries at very early stages of hydration (influence of curing temperature and pressure). Cem Concr Res 14(3):419–430CrossRefGoogle Scholar
  60. 60.
    Juilland P, Kumar A, Gallucci E, Flatt RJ, Scrivener KL (2012) Effect of mixing on the early hydration of alite and OPC systems. Cem Concr Res 42(9):1175–1188CrossRefGoogle Scholar
  61. 61.
    Khatib JM, Mangat PS (1999) Influence of superplasticizer and curing on porosity and pore structure of cement paste. Cem Concr Compos 21(5–6):431–437CrossRefGoogle Scholar
  62. 62.
    Gerstig M, Wadso L (2010) A method based on isothermal calorimetry to quantify the influence of moisture on the hydration rate of young cement pastes. Cem Concr Res 40(6):867–874CrossRefGoogle Scholar
  63. 63.
    Muller ACA, Scrivener KL, Gajewicz AM, McDonald PJ (2013) Use of bench-top NMR to measure the density, composition and desorption isotherm of C-S-H in cement paste. Microporous Mesoporous Mater 178:99–103CrossRefGoogle Scholar
  64. 64.
    Taylor HFW, Famy C, Scrivener KL (2001) Delayed ettringite formation. Cem Concr Res 31(5):683–693CrossRefGoogle Scholar
  65. 65.
    Lothenbach B, Winnefeld F, Alder C, Wieland E, Lunk P (2007) Effect of temperature on the pore solution, microstructure and hydration products of Portland cement pastes. Cem Concr Res 37(4):483–491CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.State Key Laboratory of Water Resources and Hydropower Engineering ScienceWuhan UniversityWuhanChina
  2. 2.Suzhou Institute of Wuhan UniversitySuzhouChina
  3. 3.Department of Civil and Environment EngineeringThe Hong Kong University of Science and TechnologyKowloonHong Kong
  4. 4.Civil Engineering DepartmentMirpur University of Science and TechnologyMirpurPakistan

Personalised recommendations