Numerical study on water penetration in graphene oxide reinforced concrete by the multiscale approach

Document Type : Research Article

Authors

1 Imam Khomeini International University

2 Department of civil engineering, Faculty of engineering, International Imam Khomeini university, Qazvin, Iran

Abstract

Durability is an important property that determines the long-term behavior of cement-based materials. In this study, graphene oxide nanoparticles (GONPs) are proposed to prevent water ingress into the concrete. GONPs contain a range of reactive oxygen functional groups that enable them as a suitable candidate for reaction in cementitious materials. The multiscale approach is adopted to study the unsaturated transport properties of GONPs-reinforced concrete. At the nanoscale, the most important parameters for unsaturated mass transport analysis of GONPs-reinforced calcium silicate hydrate (CSH) are determined through the molecular dynamic (MD) simulation. At the microscale, a hydrated cement model is adopted and its penetration characteristics are calculated. At the mesoscale, a three-phase mesoscale model of concrete is presented, which considers particles, cement paste, and the interfacial transition zone (ITZ) as separate constituents to simulate the unsaturated flow under the mixed actions of capillary suction, external hydrostatic pressure, and gravity. The proposed approach is validated by comparing the numerical result with those of the available experimental data taken from this paper to verify the reliability and efficiency of the multiscale model for predicting the unsaturated water transport properties. Experimental and numerical results indicate that the incorporation of a very low fraction of GONPs (0.1% by weight of cement) can effectively hinder the ingress of water molecules. It can be concluded that adding GONPs improves the transport properties of concrete which subsequently improves its durability.

Keywords

Main Subjects

References

[1] N. Banthia, A. Biparva, S. Mindess, Permeability of concrete under stress, Cement and Concrete Research, 35(9) (2005) 1651-1655.
[2] R.K. Abu Al-Rub, B.M. Tyson, A. Yazdanbakhsh, Z. Grasley, Mechanical properties of nanocomposite cement incorporating surface-treated and untreated carbon nanotubes and carbon nanofibers, Journal of nanomechanics and micromechanics, 2(1) (2012) 1-6.
[3] J. Bharj, Experimental study on compressive strength of cement-CNT composite paste, Indian Journal of Pure & Applied Physics (IJPAP), 52(1) (2015) 35-38.
[4] T. Manzur, N. Yazdani, M.A.B. Emon, Effect of carbon nanotube size on compressive strengths of nanotube reinforced cementitious composites, Journal of Materials, 2014 (2014) 1-8.
[5] B. Han, Z. Yang, X. Shi, X. Yu, Transport properties of carbon-nanotube/cement composites, Journal of Materials Engineering and Performance, 22(1) (2013) 184-189.
[6] Y. Zhu, S. Murali, W. Cai, X. Li, J.W. Suk, J.R. Potts, R.S. Ruoff, Graphene and graphene oxide: synthesis, properties, and applications, Advanced materials, 22(35) (2010) 3906-3924.
[7] S. Stankovich, D.A. Dikin, G.H. Dommett, K.M. Kohlhaas, E.J. Zimney, E.A. Stach, R.D. Piner, S.T. Nguyen, R.S. Ruoff, Graphene-based composite materials, nature, 442(7100) (2006) 282-286.
[8] H. Cui, X. Yan, L. Tang, F. Xing, Possible pitfall in sample preparation for SEM analysis-A discussion of the paper “Fabrication of polycarboxylate/graphene oxide nanosheet composites by copolymerization for reinforcing and toughening cement composites” by Lv et al, Cement and Concrete Composites, 77 (2017) 81-85.
[9] Z. Pan, L. He, L. Qiu, A.H. Korayem, G. Li, J.W. Zhu, F. Collins, D. Li, W.H. Duan, M.C. Wang, Mechanical properties and microstructure of a graphene oxide–cement composite, Cement and Concrete Composites, 58 (2015)140-147.
[10] D. Lockington, J.-Y. Parlange, P. Dux, Sorptivity and the estimation of water penetration into unsaturated concrete, Materials and Structures, 32(5) (1999) 342-347.
[11] C. Zhou, General solution of hydraulic diffusivity from sorptivity test, Cement and Concrete Research, 58 (2014) 152-160.
[12] X. Li, S. Chen, Q. Xu, Y. Xu, Modeling the three-dimensional unsaturated water transport in concrete at the mesoscale, Computers & Structures, 190 (2017) 61-74.
[13] M. Eftekhari, S. Mohammadi, Multiscale dynamic fracture behavior of the carbon nanotube reinforced concrete under impact loading, International Journal of Impact Engineering, 87 (2016) 55-64.
[14] S. Bishnoi, K.L. Scrivener, µic: A new platform for modelling the hydration of cements, Cement and Concrete Research, 39(4) (2009) 266-274.
[15] C. Li, J. Zheng, X. Zhou, M. McCarthy, A numerical method for the prediction of elastic modulus of concrete, Magazine of Concrete Research, 55(6) (2003) 497-505.
[16] Y. Saez de Ibarra, J. Gaitero, E. Erkizia, I. Campillo, Atomic force microscopy and nanoindentation of cement pastes with nanotube dispersions, Physica Status solidi (a), 203(6) (2006) 1076-1081.
[17] B. Han, X. Guan, J. Ou, Application of ultrasound for preparation of carbon fiber cement-based composites, Mater. Sci. Technol, 17(3) (2009) 368-372.
[18] C. ASTM, Standard practice for making and curing concrete test specimens in the field, in, (2012).
[19] M. Naderi, Registration of Patent in Companies and industrial property Office,“Determination of concrete, stone, mortar, brick and other construction materials permeability with cylindrical chamber method.”, in, Reg, (2010), (in Persian).
[20] C. Hall, W.D. Hoff, Water transport in brick, stone and concrete, CRC Press, (2011).
   [21] C. Hall, Water sorptivity of mortars and concretes: a review, Magazine of Concrete Research, 41(147) (1989)51-61.
[22] C. Leech, D. Lockington, P. Dux, Unsaturated diffusivity functions for concrete derived from NMR images, Materials and Structures, 36(6) (2003) 413-418.
[23] J. Davidson, L. Stone, D. Nielsen, M. Larue, Field measurement and use of soil‐water properties, Water Resources Research, 5(6) (1969) 1312-1321.
[24] Q. Ji, R.J.-M. Pellenq, K.J. Van Vliet, Comparison of computational water models for simulation of calcium–silicate–hydrate, Computational Materials Science, 53(1) (2012) 234-240.
[25] W. Zhang, S. Li, D. Hou, Y. Geng, S. Zhang, B. Yin, X. Li, Study on unsaturated transport of cement-based silane sol coating materials, Coatings, 9(7) (2019) 427.
[26] M.A. Qomi, K.J. Krakowiak, M. Bauchy, K.L. Stewart, R. Shahsavari, D. Jagannathan, D.B. Brommer, A. Baronnet, M.J. Buehler, S. Yip, and F.J. Ulm, Combinatorial molecular optimization of cement hydrates. Nature communications, 5(1) (2014) pp.1-10.
[27] H. Ma, D. Hou, Y. Lu, Z. Li, Two-scale modeling of the capillary network in hydrated cement paste, Construction and Building Materials, 64 (2014) 11-21.
[28] H. Ma, Z. Li, Realistic pore structure of Portland cement paste: experimental study and numerical simulation, Computers and Concrete, 11(4) (2013) 317-336.
[29] F. Montes, S. Valavala, L.M. Haselbach, A new test method for porosity measurements of portland cement pervious concrete, Journal of ASTM international, 2(1) (2005) 1-13.
[30] M. safarkhani, M. Naderi, Experimental investigation on mechanical and water transport properties of cement composites containing graphene oxide, Journal of Structural and Construction Engineering, (2020), (in persion).
[31] R. T. Cygan, J. J Liang, and A. G. Kalinichev, Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field, The Journal of Physical Chemistry B 108, no. 4 (2004): 1255-1266.
[32] EN, B., Admixtures for concrete, mortar and grout-test methods-part 11: determination of air void characteristics in hardened concrete. British Standards Institution: London, UK, (2005). 480-11.
Amirkabir Journal of Civil Engineering
Volume 54, Issue 4
July 2022
Pages 1249-1272

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