Three-Dimensional Modeling of Transport Properties in Hardened Cement Paste Using Metal Centrifugation-Based Pore Network
Publication: Journal of Materials in Civil Engineering
Volume 33, Issue 12
Abstract
Accurate prediction of transport properties for cementitious materials remains a challenge since it is difficult to experimentally obtain the realistic three-dimensional (3D) pore network of cement paste. In this study, the 3D pore network of cement paste is quantitatively characterized using nano X-ray microtomography coupled with the metal centrifugation porosimetry (MCP). First, the MCP technique is carried out to impel the liquid metal into the pore network of cement paste. Subsequently, the 3D pore network of cement paste with the intruded metal is reconstructed using high-resolution X-ray microtomography. Finally, based on the X-ray microtomography images, the transport properties of cement paste including ionic diffusivity and fluid permeability are simulated using a set of lattice Boltzmann transport models. The results show that the metal alloy can significantly enhance the contrast between the pore network and solid phase, and the realistic 3D pore network can be successfully reproduced. For the cement pastes with water-to-cement () ratios of 0.5 and 0.6, the transport properties are dramatically increased with the improving ratio. A similarly dramatic growth evolution of transport properties also occurs when the effective porosity of cement pastes raises from 27.56% to 36.11%.
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Data Availability Statement
Some or all data, models, or code that support the findings of this study are available from the corresponding author upon reasonable request.
Acknowledgments
The financial support provided by the National Key Research and Development Program of China (No. 2019YFC1904904) and Natural Science Foundation of China (51878153 and 51808189) is gratefully acknowledged.
References
Abyaneh, S. D., H. Wong, and N. Buenfeld. 2013. “Modelling the diffusivity of mortar and concrete using a three-dimensional mesostructure with several aggregate shapes.” Comput. Mater. Sci 78 (Oct): 63–73. https://doi.org/10.1016/j.commatsci.2013.05.024.
Attari, A., C. McNally, and M. Richardson. 2016. “A combined SEM-Calorimetric approach for assessing hydration and porosity development in GGBS concrete.” Cem. Concr. Compos. 68 (Apr): 46–56. https://doi.org/10.1016/j.cemconcomp.2016.02.001.
Banala, A., and A. Kumar. 2017. “Numerical simulations of permeability of plain and blended cement pastes.” Int. J. Adv. Eng. Sci. Appl. Math. 9 (2): 67–86. https://doi.org/10.1007/s12572-017-0184-7.
Care, S. 2008. “Effect of temperature on porosity and on chloride diffusion in cement pastes.” Constr. Build. Mater. 22 (7): 1560–1573. https://doi.org/10.1016/j.conbuildmat.2007.03.018.
Desbois, G., S. Hemes, B. Laurich, E. Houben, J. Klaver, N. Hoehne, J. Urai, G. Viggiani, and P. Bésuelle. 2016. Investigation of microstructures in naturally and experimentally deformed reference clay rocks using innovative methods in scanning electron microscopy. Chantilly, VA: Clay Minerals Society. https://doi.org/10.1346/CMS-WLS-21.1.
De Winter, D., C. Schneijdenberg, M. Lebbink, B. Lich, A. Verkleij, M. Drury, and B. Humbel. 2009. “Tomography of insulating biological and geological materials using focused ion beam (FIB) sectioning and low-kV BSE imaging.” J. Microsc. 233 (3): 372–383. https://doi.org/10.1111/j.1365-2818.2009.03139.x.
Esfandiari, J., and P. Loghmani. 2019. “Effect of perlite powder and silica fume on the compressive strength and microstructural characterization of self-compacting concrete with lime-cement binder.” Measurement 147 (Dec): 106846. https://doi.org/10.1016/j.measurement.2019.07.074.
Fathi, E., A. Tinni, and I. Akkutlu. 2012. “Correction to Klinkenberg slip theory for gas flow in nano-capillaries.” Int. J. Coal Geol. 103 (Dec): 51–59. https://doi.org/10.1016/j.coal.2012.06.008.
Garbalinska, H., S. Kowalski, and M. Staszak. 2013. “Moisture diffusivity in mortars of different water-cement ratios and in narrow ranges of air humidity changes.” Int. J. Heat Mass Transfer 56 (1–2): 212–222. https://doi.org/10.1016/j.ijheatmasstransfer.2012.09.026.
Garboczi, E. J., and D. P. Bentz. 1992. “Computer simulation of the diffusivity of cement-based materials.” J. Mater. Sci. 27 (8): 2083–2092. https://doi.org/10.1007/BF01117921.
Garboczi, E. J., and D. P. Bentz. 2001. “The effect of statistical fluctuation, finite size error, and digital resolution on the phase percolation and transport properties of the NIST cement hydration model.” Cem. Concr. Res. 31 (10): 1501–1514. https://doi.org/10.1016/S0008-8846(01)00593-2.
Ghasemzadeh, F., and M. Pour-Ghaz. 2015. “Effect of damage on moisture transport in concrete.” J. Mater. Civ. Eng. 27 (9): 04014242. https://doi.org/10.1061/(ASCE)MT.1943-5533.0001211.
Grasley, Z., G. Scherer, D. Lange, and J. Valenza. 2007. “Dynamic pressurization method for measuring permeability and modulus: II. cementitious materials.” Mater. Struct. 40 (7): 711–721. https://doi.org/10.1617/s11527-006-9184-y.
Hamami, A., P. Turcry, and A. Ait-Mokhtar. 2012. “Influence of mix proportions on microstructure and gas permeability of cement pastes and mortars.” Cem. Concr. Res. 42 (2): 490–498. https://doi.org/10.1016/j.cemconres.2011.11.019.
He, X., Q. Zou, L.-S. Luo, and M. Dembo. 1997. “Analytic solutions of simple flows and analysis of nonslip boundary conditions for the lattice Boltzmann BGK model.” J. Stat. Phys. 87 (1–2): 115–136. https://doi.org/10.1007/BF02181482.
Hellmuth, K., M. Siitari-Kauppi, P. Klobes, K. Meyer, and J. Goebbels. 1999. “Imaging and analyzing rock porosity by autoradiography and Hg-porosimetry/X-ray computertomography-applications.” Phys. Chem. Earth Part A. 24 (7): 569–573. https://doi.org/10.1016/S1464-1895(99)00081-2.
Hou, D., D. Li, P. Hua, J. Jiang, and G. Zhang. 2019. “Statistical modelling of compressive strength controlled by porosity and pore size distribution for cementitious materials.” Cem. Concr. Compos. 96 (Feb): 11–20. https://doi.org/10.1016/j.cemconcomp.2018.10.012.
Jafari Azad, V., A. R. Erbektas, C. Qiao, O. B. Isgor, and W. J. Weiss. 2019. “Relating the formation factor and chloride binding parameters to the apparent chloride diffusion coefficient of concrete.” J. Mater. Civ. Eng. 31 (2): 04018392. https://doi.org/10.1061/(ASCE)MT.1943-5533.0002615.
Jeong, N., D. H. Choi, and C.-L. Lin. 2008. “Estimation of thermal and mass diffusivity in a porous medium of complex structure using a lattice Boltzmann method.” Int. J. Heat Mass Transfer 51 (15–16): 3913–3923. https://doi.org/10.1016/j.ijheatmasstransfer.2007.11.045.
Kanit, T., S. Forest, I. Galliet, V. Mounoury, and D. Jeulin. 2003. “Determination of the size of the representative volume element for random composites: Statistical and numerical approach.” Int. J. Solids Struct. 40 (13–14): 3647–3679. https://doi.org/10.1016/S0020-7683(03)00143-4.
Kaufmann, J. 2010. “Pore space analysis of cement-based materials by combined Nitrogen sorption—Wood’s metal impregnation and multi-cycle mercury intrusion.” Cem. Concr. Compos. 32 (7): 514–522. https://doi.org/10.1016/j.cemconcomp.2010.04.003.
Klobes, P., H. Riesemeier, K. Meyer, J. Goebbels, and K. Hellmuth. 1997. “Rock porosity determination by combination of X-ray computerized tomography with mercury porosimetry.” Fresenius J. Anal. Chem. 357 (5): 543–547. https://doi.org/10.1007/s002160050210.
Kumar, R., and B. Bhattacharjee. 2003. “Study on some factors affecting the results in the use of MIP method in concrete research.” Cem. Concr. Res. 33 (3): 417–424. https://doi.org/10.1016/S0008-8846(02)00974-2.
Lapham, D., and J. Lapham. 2019. “BET surface area measurement of commercial magnesium stearate by krypton adsorption in preference to nitrogen adsorption.” Int. J. Pharm. 568 (Sep): 118522. https://doi.org/10.1016/j.ijpharm.2019.118522.
Li, B., J. Mao, T. Nawa, and T. Han. 2017a. “Mesoscopic damage model of concrete subjected to freeze-thaw cycles using mercury intrusion porosimetry and differential scanning calorimetry (MIP-DSC).” Constr. Build. Mater. 147 (Aug): 79–90. https://doi.org/10.1016/j.conbuildmat.2017.04.136.
Li, K., M. Stroeven, P. Stroeven, and L. Sluys. 2016. “Investigation of liquid water and gas permeability of partially saturated cement paste by DEM approach.” Cem. Concr. Res. 83 (May): 104–113. https://doi.org/10.1016/j.cemconres.2016.02.002.
Li, L., H. Zhang, X. Guo, X. Zhou, L. Lu, M. Chen, and X. Cheng. 2019. “Pore structure evolution and strength development of hardened cement paste with super low water-to-cement ratios.” Constr. Build. Mater. 227 (Dec): 117108. https://doi.org/10.1016/j.conbuildmat.2019.117108.
Li, X., and Y. Xu. 2019. “Microstructure-based modeling for water permeability of hydrating cement paste.” J. Adv. Concr. Technol. 17 (7): 405–418. https://doi.org/10.3151/jact.17.405.
Li, Y., W. Guo, and H. Li. 2017b. “Method to calculate cement content in hardened concrete based on theory of carbonization.” ACI Mater. J. 114 (2): 245–251. https://doi.org/10.14359/51689491.
Liu, C., Z. Liu, and Y. Zhang. 2020a. “A multi-scale framework for modelling effective gas diffusivity in dry cement paste: Combined effects of surface, Knudsen and molecular diffusion.” Cem. Concr. Res. 131 (May): 106035. https://doi.org/10.1016/j.cemconres.2020.106035.
Liu, C., C. Qian, R. Qian, Z. Liu, H. Qiao, and Y. Zhang. 2019. “Numerical prediction of effective diffusivity in hardened cement paste between aggregates using different shapes of cement powder.” Constr. Build. Mater. 223 (Oct): 806–816. https://doi.org/10.1016/j.conbuildmat.2019.06.125.
Liu, C., F. Wang, and M. Zhang. 2020b. “Modelling of 3D microstructure and effective diffusivity of fly ash blended cement paste.” Cem. Concr. Compos. 110 (Jul): 103586. https://doi.org/10.1016/j.cemconcomp.2020.103586.
Liu, G., Y. Zhang, Z. Ni, and R. Huang. 2016. “Corrosion behavior of steel submitted to chloride and sulphate ions in simulated concrete pore solution.” Constr. Build. Mater. 115 (Jul): 1–5. https://doi.org/10.1016/j.conbuildmat.2016.03.213.
Liu, Z., D. Xu, S. Gao, Y. Zhang, and J. Jiang. 2020c. “Assessing the adsorption and diffusion behavior of multicomponent ions in saturated calcium silicate hydrate gel pores using molecular dynamics.” ACS Sustainable Chem. Eng. 8 (9): 3718–3727. https://doi.org/10.1021/acssuschemeng.9b06817.
Loosveldt, H., Z. Lafhaj, and F. Skoczylas. 2002. “Experimental study of gas and liquid permeability of a mortar.” Cem. Concr. Res. 32 (9): 1357–1363. https://doi.org/10.1016/S0008-8846(02)00793-7.
Moro, F., and H. Böhni. 2002. “Ink-bottle effect in mercury intrusion porosimetry of cement-based materials.” J. Colloid Interface Sci. 246 (1): 135–149. https://doi.org/10.1006/jcis.2001.7962.
Ngala, V., C. Page, L. Parrott, and S. Yu. 1995. “Diffusion in cementitious materials: II, further investigations of chloride and oxygen diffusion in well-cured OPC and OPC/30% PFA pastes.” Cem. Concr. Res. 25 (4): 819–826. https://doi.org/10.1016/0008-8846(95)00072-K.
Numata, S., H. Amano, and K. Minami. 1990. “Diffusion of tritiated water in cement materials.” J. Nucl. Mater. 171 (2–3): 373–380. https://doi.org/10.1016/0022-3115(90)90383-X.
Oslakovic, I. S., D. Bjegovic, and D. Mikulic. 2010. “Evaluation of service life design models on concrete structures exposed to marine environment.” Mater. Struct. 43 (10): 1397–1412. https://doi.org/10.1617/s11527-010-9590-z.
Pan, C., L.-S. Luo, and C. T. Miller. 2006. “An evaluation of lattice Boltzmann schemes for porous medium flow simulation.” Comput. Fluids 35 (8–9): 898–909. https://doi.org/10.1016/j.compfluid.2005.03.008.
Patel, R. A., Q. T. Phung, S. C. Seetharam, J. Perko, D. Jacques, N. Maes, G. De Schutter, G. Ye, and K. Van Breugel. 2016. “Diffusivity of saturated ordinary portland cement-based materials: A critical review of experimental and analytical modelling approaches.” Cem. Concr. Res. 90 (Dec): 52–72. https://doi.org/10.1016/j.cemconres.2016.09.015.
Phung, Q., N. Maes, G. De Schutter, D. Jacques, and G. Ye. 2013. “Determination of water permeability of cementitious materials using a controlled constant flow method.” Constr. Build. Mater. 47 (Oct): 1488–1496. https://doi.org/10.1016/j.conbuildmat.2013.06.074.
Pichler, B., C. Hellmich, J. Eberhardsteiner, J. Wasserbauer, P. Termkhajornkit, R. Barbarulo, and G. Chanvillard. 2013. “Effect of gel-space ratio and microstructure on strength of hydrating cementitious materials: An engineering micromechanics approach.” Cem. Concr. Res. 45 (Mar): 55–68. https://doi.org/10.1016/j.cemconres.2012.10.019.
Poupard, O., A. Ait-Mokhtar, and P. Dumargue. 2004. “Corrosion by chlorides in reinforced concrete: Determination of chloride concentration threshold by impedance spectroscopy.” Cem. Concr. Res. 34 (6): 991–1000. https://doi.org/10.1016/j.cemconres.2003.11.009.
Qian, R., C. Liu, G. Liu, Z. Liu, B. Pang, W. She, and Y. Zhang. 2021a. “Effects of various inlet-gas mediums on apparent permeability of concrete under steady-state flow: Comparison between carbon-dioxide and oxygen.” Cem. Concr. Compos. 119 (May): 103995. https://doi.org/10.1016/j.cemconcomp.2021.103995.
Qian, R., G. Liu, Z. Liu, W. She, H. Qiao, and Y. Zhang. 2021b. “Investigations on three-dimensional pore-structure in cementitious materials using metal centrifugation porosimetry and simulation” Mater. Lett. 282 (Jan): 128684. https://doi.org/10.1016/j.matlet.2020.128684.
Qian, R., J. Shi, C. Liu, G. Liu, Z. Liu, W. She, Y. Zhang, Y. Zhang, and Y. Liang. 2021c. “Investigations on pore-structure in cementitious materials using gas intrusion porosimetry.” Measurement 171 (Feb): 108816. https://doi.org/10.1016/j.measurement.2020.108816.
Qian, R., Y. Zhang, C. Liu, L. Yang, G. Liu, and W. She. 2018. “Quantitative characterization of three-dimensional pore structure in hardened cement paste using X-ray microtomography combined with centrifuge driven metal alloy intrusion.” Mater. Charact. 145 (Nov): 277–283. https://doi.org/10.1016/j.matchar.2018.08.047.
Rose, J., and Z. Grasley. 2017. “Comparison of permeability of cementitious materials obtained via poromechanical and conventional experiments.” J. Mater. Civ. Eng. 29 (9): 04017083. https://doi.org/10.1061/(ASCE)MT.1943-5533.0001931.
Roy, S., R. Raju, H. Chuang, B. Cruden, and M. Meyyappan. 2003. “Modeling gas flow through microchannels and nanopores.” J. Appl. Phys. 93 (8): 4870–4879. https://doi.org/10.1063/1.1559936.
Rozenbaum, O., and S. du Roscoat. 2014. “Representative elementary volume assessment of three-dimensional x-ray microtomography images of heterogeneous materials: Application to limestones.” Phys. Rev. E 89 (5): 053304. https://doi.org/10.1103/PhysRevE.89.053304.
She, W., Y. Du, G. Zhao, P. Feng, Y. Zhang, and X. Cao. 2018. “Influence of coarse fly ash on the performance of foam concrete and its application in high-speed railway roadbeds.” Constr. Build. Mater. 170 (May): 153–166. https://doi.org/10.1016/j.conbuildmat.2018.02.207.
Song, Y., G. Dai, L. Zhao, Z. Bian, P. Li, and L. Song. 2020. “Permeability prediction of hydrated cement paste based on its 3D image analysis.” Constr. Build. Mater. 247 (Jun): 118527. https://doi.org/10.1016/j.conbuildmat.2020.118527.
Song, Y., C. Davy, D. Troadec, and X. Bourbon. 2019. “Pore network of cement hydrates in a High Performance Concrete by 3D FIB/SEM—Implications for macroscopic fluid transport.” Cem. Concr. Res. 115 (Jan): 308–326. https://doi.org/10.1016/j.cemconres.2018.08.004.
Tang, L., and H. Sorensen. 2001. “Precision of the Nordic test methods for measuring the chloride diffusion/migration coefficients of concrete.” Mater. Struct. 34 (242): 479–485. https://doi.org/10.1617/13498.
Tracz, T. 2016. “Open porosity of cement pastes and their gas permeability.” Bull. Pol. Acad. Sci. Tech. Sci. 64 (4): 775–783. https://doi.org/10.1515/bpasts-2016-0086.
Ukrainczyk, N., and E. Koenders. 2014. “Representative elementary volumes for 3D modeling of mass transport in cementitious materials.” Modell. Simul. Mater. Sci. Eng. 22 (3): 035001. https://doi.org/10.1088/0965-0393/22/3/035001.
Wang, M., J. Wang, N. Pan, and S. Chen. 2007. “Mesoscopic predictions of the effective thermal conductivity for microscale random porous media.” Phys. Rev. E 75 (3): 036702. https://doi.org/10.1103/PhysRevE.75.036702.
Willis, K., A. Abell, and D. Lange. 1998. “Image-based characterization of cement pore structure using wood’s metal intrusion.” Cem. Concr. Res. 28 (12): 1695–1705. https://doi.org/10.1016/S0008-8846(98)00159-8.
Wong, H., M. Head, and N. Buenfeld. 2006. “Pore segmentation of cement-based materials from backscattered electron images.” Cem. Concr. Res. 36 (6): 1083–1090. https://doi.org/10.1016/j.cemconres.2005.10.006.
Xu, W., Y. Zhang, J. Jiang, Z. Liu, and Y. Jiao. 2021. “Thermal conductivity and elastic modulus of 3D porous/fractured media considering percolation.” Int. J. Eng. Sci. 161 (Apr): 103456. https://doi.org/10.1016/j.ijengsci.2021.103456.
Yang, L., G. Liu, D. Gao, and C. Zhang. 2021. “Experimental study on water absorption of unsaturated concrete: w/c ratio, coarse aggregate and saturation degree.” Constr. Build. Mater. 272 (Feb): 121945. https://doi.org/10.1016/j.conbuildmat.2020.121945.
Yio, M., M. Mac, H. Wong, and N. Buenfeld. 2015. “3D imaging of cement-based materials at submicron resolution by combining laser scanning confocal microscopy with serial sectioning.” J. Microsc. 258 (2): 151–169. https://doi.org/10.1111/jmi.12228.
Yio, M., H. Wong, and N. Buenfeld. 2017. “Representative elementary volume (REV) of cementitious materials from three-dimensional pore structure analysis.” Cem. Concr. Res. 102 (Dec): 187–202. https://doi.org/10.1016/j.cemconres.2017.09.012.
Yu, P., Y. Duan, E. Chen, S. Tang, and X. Wang. 2018. “Microstructure-based fractal models for heat and mass transport properties of cement paste.” Int. J. Heat Mass Transfer 126 (Part B): 432–447. https://doi.org/10.1016/j.ijheatmasstransfer.2018.05.150.
Zeng, Q., X. Wang, P. Yang, J. Wang, and C. Zhou. 2019. “Tracing mercury entrapment in porous cement paste after mercury intrusion test by X-ray computed tomography and implications for pore structure characterization.” Mater. Charact. 151 (May): 203–215. https://doi.org/10.1016/j.matchar.2019.02.014.
Zhang, M., G. Ye, and K. van Breugel. 2012. “Modeling of ionic diffusivity in non-saturated cement-based materials using lattice Boltzmann method.” Cem. Concr. Res. 42 (11): 1524–1533. https://doi.org/10.1016/j.cemconres.2012.08.005.
Zhang, M., G. Ye, and K. van Breugel. 2013. “Microstructure-based modeling of permeability of cementitious materials using multiple-relaxation-time lattice Boltzmann method.” Comput. Mater. Sci 68 (Feb): 142–151. https://doi.org/10.1016/j.commatsci.2012.09.033.
Zhang, M., G. Ye, and K. van Breugel. 2014. “Multiscale lattice Boltzmann-finite element modelling of chloride diffusivity in cementitious materials. Part II: Simulation results and validation.” Mech. Res. Commun. 58 (Jun): 64–72. https://doi.org/10.1016/j.mechrescom.2014.01.001.
Zheng, J., J. Zhang, X. Zhou, Y. Wu, Y. Ye, and Y. Wang. 2018. “A three-step analytical scheme for estimating the steady-state chloride diffusion coefficient of mature cement paste.” Constr. Build. Mater. 191 (Dec): 1004–1010. https://doi.org/10.1016/j.conbuildmat.2018.10.070.
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Journal of Materials in Civil Engineering
Volume 33 • Issue 12 • December 2021
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© 2021 American Society of Civil Engineers.
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Received: Nov 23, 2020
Accepted: Apr 26, 2021
Published online: Sep 29, 2021
Published in print: Dec 1, 2021
Discussion open until: Feb 28, 2022
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