Modeling the evolved microstructure of cement pastes governed by diffusion through barrier shells of C–S–H
Source abstract
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.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Concrete and Cement Materials Research · Concrete Properties and Behavior · Innovative concrete reinforcement materials
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References (65)
Show source-provided references
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/s10853-014-8743-910.1007/s10853-014-8743-9 ↗
2. Tang SW, Yao Y, Andrade C, Li ZJ (2015) Recent durability studies on concrete structure. Cem Concr Res 78:143–15410.1016/j.cemconres.2015.05.021 ↗
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 146:15–2910.1016/j.conbuildmat.2017.04.073 ↗
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/s10853-018-2074-110.1007/s10853-018-2074-1 ↗
5. Bentz DP (1997) Three-dimensional computer simulation of portland cement hydration and microstructure development. J Am Ceram Soc 80(1):3–2110.1111/j.1151-2916.1997.tb02785.x ↗
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):609–62210.1557/jmr.2010.41 ↗
7. Maekawa K, Chaube R, Kishi T (1999) Modelling of concrete performance. E&FN Spon, London
8. Van Breugel K (1993) Simulation of hydration and formation of structure in hardening cement-based materials. Ph.D thesis, Delft University Press
9. Navi P, Pignat C (1996) Simulation of cement hydration and the connectivity of the capillary pore space. Adv Cem Based Mater 4(2):58–6710.1016/S1065-7355(96)90052-8 ↗
10. Bishnoi S (2008) Vector modelling of hydrating cement microstructure and kinetics. Ph.D thesis, École Polytechnique Fédérale de Lausann
11. De Korte ACJ, Brouwers HJH (2013) A cellular automata approach to chemical reactions; 1 Reaction controlled systems. Chem Eng J 228:172–17810.1016/j.cej.2013.04.084 ↗
12. Bui DD (2001) Rice husk ash a mineral admixture for high performance concrete. Ph.D thesis, Delft University Press
13. Le NLB, Stroeven M, Sluys LJ, Stroeven P (2013) A novel numerical multi-component model for simulating hydration of cement. Comput Mater Sci 78:12–2110.1016/j.commatsci.2013.05.021 ↗
14. Jennings HM, Johnson SK (1986) Simulation of microstructure development during the hydration of a cement compound. J Am Ceram Soc 69(11):790–79510.1111/j.1151-2916.1986.tb07361.x ↗
15. Bishnoi S, Scrivener KL (2009) uic: a new platform for modelling the hydration of cements. Cem Concr Res 39(4):266–27410.1016/j.cemconres.2008.12.002 ↗
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):1257–127810.1016/j.cemconres.2010.10.004 ↗
17. Bishnoi S, Scrivener KL (2009) Studying nucleation and growth kinetics of alite hydration using μic. Cem Concr Res 39(10):849–86010.1016/j.cemconres.2009.07.004 ↗
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):27950–2796210.1021/acs.jpcc.7b08141 ↗
19. Scrivener KL, Juilland P, Monteiro PJM (2015) Advances in understanding hydration of Portland cement. Cem Concr Res 78:38–5610.1016/j.cemconres.2015.05.025 ↗
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 157:117–13110.1016/j.conbuildmat.2017.09.009 ↗
21. Gallucci E, Zhang X, Scrivener KL (2013) Effect of temperature on the microstructure of calcium silicate hydrate (C-S-H). Cem Concr Res 53:185–19510.1016/j.cemconres.2013.06.008 ↗
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 99:211–22410.1016/j.jmps.2016.10.010 ↗
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 Technology
24. Ma H, Li Z (2013) Realistic pore structure of Portland cement paste: experimental study and numerical simulation. Comput Concr 11(4):317–33610.12989/cac.2013.11.4.317 ↗
25. Ma H, Tang S, Li Z (2015) New pore structure assessment methods for cement paste. J Mater Civ Eng 27(2):A401400210.1061/(ASCE)MT.1943-5533.0000982 ↗
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):981–99410.1680/jmacr.15.00321 ↗
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/10.1061/9780784479346.00110.1061/9780784479346.001 ↗
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 88:170–18310.1016/j.cemconres.2016.04.006 ↗
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):299–33110.1002/nme.1615 ↗
30. Knudsen T (1983) Modelling hydration of portland cement: the effect of particle size distribution. In: Proceedings of the engineering foundation conference
31. Sanahuja J, Dormieux L, Chanvillard G (2007) Modelling elasticity of a hydrating cement paste. Cem Concr Res 37(10):1427–143910.1016/j.cemconres.2007.07.003 ↗
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):469–48010.1016/j.cemconres.2006.06.004 ↗
33. Ma L, Zhang Y (2017) Microstructure-based prediction model for chloride ion diffusivity in hydrated cement paste. Ceram Silik 61(2):110–11810.13168/cs.2017.0005 ↗
34. Kjellsen KO, Detwiler RJ, Gjorv OE (1991) Development of microstructures in plain cement pastes hydrated at different temperatures. Cem Concr Res 21(1):179–18910.1016/0008-8846(91)90044-I ↗
35. Elkhadiri I, Puertas F (2008) The effect of curing temperature on sulphate-resistant cement hydration and strength. Constr Build Mater 22(7):1331–134110.1016/j.conbuildmat.2007.04.014 ↗
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):140–15110.1016/S0921-5093(03)00624-5 ↗
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):99–10910.1007/s11669-015-0364-8 ↗
38. Patel HH, Bland CH, Poole AB (1995) The microstructure of concrete cured at elevated-temperatures. Cem Concr Res 25(3):485–49010.1016/0008-8846(95)00036-C ↗
39. Flatt RJ, Scherer GW, Bullard JW (2011) Why alite stops hydrating below 80% relative humidity. Cem Concr Res 41(9):987–99210.1016/j.cemconres.2011.06.001 ↗
40. Wyrzykowski M, Lura P (2016) Effect of relative humidity decrease due to self-desiccation on the hydration kinetics of cement. Cem Concr Res 85:75–8110.1016/j.cemconres.2016.04.003 ↗
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 Lausanne
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 Technology
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):472–48110.1016/j.conbuildmat.2011.07.017 ↗
44. Bullard JW (2008) A determination of hydration mechanisms for tricalcium silicate using a kinetic cellular automaton model. J Am Ceram Soc 91(7):2088–209710.1111/j.1551-2916.2008.02419.x ↗
45. Bentz DP (2006) Influence of water-to-cement ratio on hydration kinetics: simple models based on spatial considerations. Cem Concr Res 36(2):238–24410.1016/j.cemconres.2005.04.014 ↗
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 39:23–3210.1016/j.cemconcomp.2013.03.007 ↗
47. Bentz DP, Stutzman PE (2006) Curing, hydration, and microstructure of cement paste. ACI Mater J 103(5):348–356
48. Wong HS, Head MK, Buenfeld NR (2006) Pore segmentation of cement-based materials from backscattered electron images. Cem Concr Res 36(6):1083–109010.1016/j.cemconres.2005.10.006 ↗
49. Bazzoni A (2014) Study of early hydration mechanisms of cement by means of electron microscopy. Ph.D thesis, Lausanne, EPFL
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 113:939–95010.1016/j.conbuildmat.2016.03.141 ↗
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 83:31–4410.1016/j.cemconres.2016.01.012 ↗
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):231–24310.1016/S0008-8846(97)00260-3 ↗
53. Pang X (2011) Effects of curing temperature and pressure on the chemical, physical, and mechanical properties of Portland cement. Ph.D thesis, Columbia University
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):129–13510.1111/j.1151-2916.2001.tb00619.x ↗
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):562–57110.1016/j.cemconcomp.2011.03.001 ↗
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):908–91310.1016/j.cemconres.2010.01.014 ↗
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):526–53810.1016/j.cemconres.2011.11.016 ↗
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 95:270–28110.1016/j.cemconres.2017.02.008 ↗
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):419–43010.1016/0008-8846(84)90061-9 ↗
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):1175–118810.1016/j.cemconres.2011.06.011 ↗
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):431–43710.1016/S0958-9465(99)00031-1 ↗
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):867–87410.1016/j.cemconres.2010.02.005 ↗
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 178:99–10310.1016/j.micromeso.2013.01.032 ↗
64. Taylor HFW, Famy C, Scrivener KL (2001) Delayed ettringite formation. Cem Concr Res 31(5):683–69310.1016/S0008-8846(01)00466-5 ↗
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):483–49110.1016/j.cemconres.2006.11.016 ↗