Nano-CaCO₃ enhances PVA fiber-matrix interfacial properties: an experimental and molecular dynamics study

References

• C. DDL. Use of polymers for cement-based structural materials. J Mater Sci. 2004;39:2973–2978.
   Web of Science ®Google Scholar
• O. Onuaguluchi,N. Banthia, Plant-based natural fibre reinforced cement composites: A review. Cement and Concrete Composites. 68. (2016). 96-108, doi:10.1016/j.cemconcomp.2016.02.014.
   Web of Science ®Google Scholar
• Torres RB, dos Santos JC, Panzera TH, et al. Hybrid glass fibre reinforced composites containing silica and cement microparticles based on a design of experiment. Polym Test. 2017;57:87–93. doi:10.1016/j.polymertesting.2016.11.012.
   Web of Science ®Google Scholar
• Xu H, Wang Z, Shao Z, et al. Experimental study on durability of fiber reinforced concrete: effect of cellulose fiber, polyvinyl alcohol fiber and polyolefin fiber. Constr Build Mater. 2021;306:1–23. doi:10.1016/j.conbuildmat.2021.124867.
   Web of Science ®Google Scholar
• Meng G, Wu B, Xu S, et al. Modelling and experimental validation of flexural tensile properties of steel fiber reinforced concrete. Constr Build Mater. 2021;273:1–8. doi:10.1016/j.conbuildmat.2020.121974.
   Web of Science ®Google Scholar
• Pakravan HR, Jamshidi M, Latifi M. The effect of hydrophilic (polyvinyl alcohol) fiber content on the flexural behavior of engineered cementitious composites (ECC). The Journal of The Textile Institute. 2018;109:79–84. doi:10.1080/00405000.2017.1329132.
   Web of Science ®Google Scholar
• de Oliveira AM, Silva FdA, Fairbairn EdMR, et al. Coupled temperature and moisture effects on the tensile behavior of strain hardening cementitious composites (SHCC) reinforced with PVA fibers. Materials and Structures. 2018;51:1–13. doi:10.1617/s11527-018-1192-1.
   Web of Science ®Google Scholar
• Noushini A, Samali B, Vessalas K. Effect of polyvinyl alcohol (PVA) fibre on dynamic and material properties of fibre reinforced concrete. Constr Build Mater. 2013;49:374–383. doi:10.1016/j.conbuildmat.2013.08.035.
   Web of Science ®Google Scholar
• Zhang X, Deng Z. Experimental study and theoretical analysis on axial compressive behavior of concrete columns reinforced with GFRP bars and PVA fibers. Constr Build Mater. 2018;172:519–532. doi:10.1016/j.conbuildmat.2018.03.237.
   Web of Science ®Google Scholar
• Wang LEI, Guo F, Yang H, et al. Comparison of Fly Ash, Pva fiber, Mgo and shrinkage-reducing admixture on the frost resistance of face slab concrete Via pore structural and fractal analysis. FractalS. 2021;29:1–33. doi:10.1142/S0218348X21400028.
   Web of Science ®Google Scholar
• B. Kim,J.-Y. Lee. Relationships between mechanical and transport properties for fiber reinforced concrete. J Compos Mater. 2012;46:1607–1615. doi:10.1177/0021998311421691.
   Web of Science ®Google Scholar
• Wang L, Zhou SH, Shi Y, et al. Effect of silica fume and PVA fiber on the abrasion resistance and volume stability of concrete. Composites Part B: Engineering. 2017;130:28–37. doi:10.1016/j.compositesb.2017.07.058.
   Web of Science ®Google Scholar
• Mechtcherine V, Millon O, Butler M, et al. Mechanical behaviour of strain hardening cement-based composites under impact loading. Cement and Concrete Composites. 2011;33:1–11. doi:10.1016/j.cemconcomp.2010.09.018.
   Web of Science ®Google Scholar
• Ong MBKCG, Paramasivam P. Resistance of ®bre concrete slabs to low velocity projectile impact. Cem Concr Compos. 1999;21:391–401.
   Web of Science ®Google Scholar
• Stang VCLH, Krenchel H. Design and structural applications of stress-crack width relations in fibre reinforced concrete. (1995).
   Google Scholar
• Dai J, Ueda T, Sato Y. Development of the nonlinear bond stress–slip model of fiber reinforced plastics sheet–concrete interfaces with a simple method. Journal of Composites for Construction. 2005;9:52–62. doi:10.1061/(ASCE)1090-0268(2005)9:1(52).
   Web of Science ®Google Scholar
• Zhang W, Zou X, Wei F, et al. Grafting SiO2 nanoparticles on polyvinyl alcohol fibers to enhance the interfacial bonding strength with cement. Composites Part B: Engineering. 2019;162:500–507. doi:10.1016/j.compositesb.2019.01.034.
   Web of Science ®Google Scholar
• Zhou Y, Hou D, Manzano H, et al. Interfacial connection mechanisms in calcium-silicate-hydrates/polymer nanocomposites: A molecular dynamics study. ACS Appl Mater Interfaces. 2017;9:41014–41025. doi:10.1021/acsami.7b12795.
   PubMed Web of Science ®Google Scholar
• Q. Xiong,X. Tian, Dynamic simulations of stimuli-responsive switching of azobenzene derivatives in self-assembled monolayers: reactive rotation potential and switching functions. Molecular Simulation. 41. (2015). 28–42, doi:10.1080/08927022.2014.918974.
   Web of Science ®Google Scholar
• Kim D, Naaman AE, El-Tawil S. High tensile strength strain-hardening FRC composites with less than 2% fiber content. proceedings of second international symposium on ultra high performance concrete, kassel. Germany. 2008: 169–176.
   Google Scholar
• Kim D, El-Tawil S, Naaman A. Correlation between single fiber pullout and tensile response of FRC composites with high strength steel fibers. Fifth International RILEM Workshop on High Performance Fiber Reinforced Cement Composites (HPFRCC5). RILEM, ed HW Reinhardt and AE Naaman: Paris. (2007). 67-76,.
   Google Scholar
• Singh S, Shukla A, Brown R. Pullout behavior of polypropylene fibers from cementitious matrix. Cement and Concrete Research. 2004;34:1919–1925. doi:10.1016/j.cemconres.2004.02.014.
   Web of Science ®Google Scholar
• Zhou A, Yu Z, Wei H, et al. Understanding the toughening mechanism of silane coupling agents in the interfacial bonding in steel fiber-reinforced cementitious composites. ACS Appl Mater Interfaces. 2020;12:44163–44171. doi:10.1021/acsami.0c12477.
   PubMed Web of Science ®Google Scholar
• Pi Z, Xiao H, Liu R, et al. Effects of brass coating and nano-SiO2 coating on steel fiber–matrix interfacial properties of cement-based composite. Composites Part B: Engineering. 2020;189:1–13. doi:10.1016/j.compositesb.2020.107904.
   Web of Science ®Google Scholar
• Yao X, Shamsaei E, Chen S, et al. Graphene oxide-coated poly(vinyl alcohol) fibers for enhanced fiber-reinforced cementitious composites. Composites Part B: Engineering. 2019;174:1–23. doi:10.1016/j.compositesb.2019.107010.
   Web of Science ®Google Scholar
• Zhang Peng LC, juan W, LuoYi KANG. Mechanical properties of concrete synergistically reinforced with nano SiO2 and polyvinyl alcohol fiber. HIGHWAY. 2021;66:271–275.
   Google Scholar
• Zhu, Be, Jin C, Jin Xu, et al. Effect of nano-alumina on quasi-static and dynamic properties of concrete. BULLETIN OF THE CHINESE CERAMIC SOCIETY. 2016;35:2575–2589. doi:10.16552/j.cnki.issn1001-1625.2016.08.041.
   Google Scholar
• Wu Z, Shi C, Khayat KH, et al. Effects of different nanomaterials on hardening and performance of ultra-high strength concrete (UHSC). Cement and Concrete Composites. 2016;70:24–34. doi:10.1016/j.cemconcomp.2016.03.003.
   Web of Science ®Google Scholar
• Zhang Peng Wl, Juan Wang, Mei-ju Jiao. Study on the workability and mechanical properties of nano-CaCO3 and PVA fiber reinforced concrete. CHINA CONCRETEAND CEMENTPRODUCTS. 2020;3:42–54. doi:10.19761/j.1000-4637.2020.03.042.05.
   Google Scholar
• Feng Y, Qin D, Li L, et al. Eva enhances the interfacial strength of EPS concrete: a molecular dynamics study. J Exp Nanosci. 2021;16:382–396. doi:10.1080/17458080.2021.2003338.
   Web of Science ®Google Scholar
• Roustazadeh D, Aghadavoudi F, Khandan A. A synergic effect of CNT/Al2O3reinforcements on multiscale epoxy-based glass fiber composite: fabrication and molecular dynamics modeling. Mol Simul. 2020;46:1308–1319. doi:10.1080/08927022.2020.1815729.
   Web of Science ®Google Scholar
• Guo X, Xin H, Li J, et al. Molecular dynamics study on perfect and defective graphene/calcium-silicate-hydrate composites under tensile loading. Mol Simul. 2019;45:1481–1487. doi:10.1080/08927022.2019.1632449.
   Web of Science ®Google Scholar
• Zhou Y, Tang L, Liu J, et al. Interaction mechanisms between organic and inorganic phases in calcium silicate hydrates/poly(vinyl alcohol) composites. Cement and Concrete Research. 2019;125:1–12. doi:10.1016/j.cemconres.2019.105891.
   Web of Science ®Google Scholar
• J. Zhou,Y. Liang. Reactive molecular dynamics simulation on the structure characteristics and tensile properties of calcium silicate hydrate at various temperatures and strain rates. Mol Simul. 2020;46:1181–1190. doi:10.1080/08927022.2020.1807543.
   Web of Science ®Google Scholar
• Liang J. Evaluation of dispersion of nano-CaCO3 particles in polypropylene matrix based on fractal method. Composites Part A: Applied Science and Manufacturing. 2007;38:1502–1506. doi:10.1016/j.compositesa.2007.01.011.
   Web of Science ®Google Scholar
• Kamal M, Sharma C, Upadhyaya P, et al. Calcium carbonate (CaCO3) nanoparticle filled polypropylene: effect of particle surface treatment on mechanical, thermal, and morphological performance of composites. J Appl Polym Sci. 2012;124:2649–2656. doi:10.1002/app.35319.
   Web of Science ®Google Scholar
• HU Zhang-wen LR-f. Zhuo Jia-ming, preparation and characterization ofNano-Caco3/PVA composite material. MINING AND METALLURGICAL ENGINEERING. 2008;28:102–109.
   Google Scholar
• Tang C, Li X, Tang Y, et al. Agglomeration mechanism and restraint measures of SiO2nanoparticles in meta-aramid fibers doping modification via molecular dynamics simulations. Nanotechnology. 2020;31:1–17. doi:10.1088/1361-6528/ab662c.
   Web of Science ®Google Scholar
• WANG Wei QL. Application of titanate coupling agent to CaCO3 filled SF/PVA blend films. Journal of Textile Research. 2010;31:12–20.
   Google Scholar
• Zhang LC-hLQ-f. Peng experimental study on mechanical properties of cement stabilized crushed stones reinforced with polypropylene fiber. Journal of Zhengzhou University(Engineering Science. 2010;31:44–47.
   Google Scholar
• T. Sato, F. Diallo, Seeding effect of nano-CaCO3on the hydration of tricalcium silicate. Transportation Research Record: Journal of the Transportation Research Board. 2010;2010;2141:61–67. doi:10.3141/2141-11.
   Google Scholar
• Tian-yu HZ-yZ. Influence of nano-CaCO3 on ultra high performance concrete. BULLETIN OF THE CHINESE CERAMIC SOCIETY. 2013;32:1103–1125. doi:10.16552/j.cnki.issn1001-1625.2013.06.018.
   Google Scholar
• Tian-hang ZPYY-hKL-yZ. Flexural properties of nano-CaCO3 and PVA fiber Reinforced concrete. Science Technology and Engineering. 2020;20:4507–4511.
   Google Scholar
• Meng Tao QK, Xiaoqian Q, Shulin Z. Effect of the nano-CaCO3 on hydrated properties and interface of cement paste. RARE METAL MATERIALS AND ENGINEERING. 2008;37:667–669.
   Web of Science ®Google Scholar
• Shin H, Yang S, Choi J, et al. Effect of interphase percolation on mechanical behavior of nanoparticle-reinforced polymer nanocomposite with filler agglomeration: A multiscale approach. Chem Phys Lett. 2015;635:80–85. doi:10.1016/j.cplett.2015.06.054.
   Web of Science ®Google Scholar
• Lu Z, Hanif A, Sun G, et al. Highly dispersed graphene oxide electrodeposited carbon fiber reinforced cement-based materials with enhanced mechanical properties. Cement and Concrete Composites. 2018;87:220–228. doi:10.1016/j.cemconcomp.2018.01.006.
   Web of Science ®Google Scholar
• Li YWaSBVC. Effect of inclining angle, bundling and surface treatment on synthetic fibre pull-out from a cement matrix. (1990).
   Google Scholar
• Wang X, Xie W, Li T, et al. Molecular dynamics study on mechanical properties of interface between urea-formaldehyde resin and calcium-silicate-hydrates. Materials (Basel). 2020;13:1–14. doi:10.3390/ma13184054.
   Google Scholar
• Zhou Y, Peng Z-c, Huang J-l, et al. A molecular dynamics study of calcium silicate hydrates-aggregate interfacial interactions and influence of moisture. Journal of Central South University. 2021;28:16–28. doi:10.1007/s11771-021-4582-4.
   Web of Science ®Google Scholar
• Jin S, Li J, Xu W, et al. Heterogeneous nature of calcium silicate hydrate (C-S-H) Gel: A molecular dynamics study. Journal of Wuhan University of Technology-Mater. Sci. Ed. 2020;35:435–440. doi:10.1007/s11595-020-2275-8.
   Web of Science ®Google Scholar
• Allen AJ, Thomas JJ, Jennings HM. Composition and density of nanoscale calcium-silicate-hydrate in cement. Nat Mater. 2007;6:311–316. doi:10.1038/nmat1871.
   PubMed Web of Science ®Google Scholar
• Geng G, Myers RJ, Qomi MJA, et al. Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate. Sci Rep. 2017;7:1–8. doi:10.1038/s41598-017-11146-8.
   PubMed Web of Science ®Google Scholar
• Roland B, Pellenqa J-M, Kushimac A, et al. A realistic molecular model of cement hydrates. Proceedings of the National Academy of Sciences. 2009;106:16102–16107.
   PubMed Web of Science ®Google Scholar
• Hamid SΑ. The crystal structure of the 11 natural tobermorite Ca2.25[Si3O7.5(OH)1.5] · 1H2O. Crystalline Materials. 1981;154(-):151–154.
   Google Scholar
• Fu J, Bernard F, Kamali-Bernard S. Assessment of the elastic properties of amorphous calcium silicates hydrates (I) and (II) structures by molecular dynamics simulation. Mol Simul. 2018;44:285–299. doi:10.1080/08927022.2017.1373191.
   Web of Science ®Google Scholar
• Tang S, A H, Yu W, et al. The interactions between water molecules and C-S-H surfaces in loads-induced nanopores: A molecular dynamics study. Appl Surf Sci. 2019;496:1–12. doi:10.1016/j.apsusc.2019.143744.
   Web of Science ®Google Scholar
• Hou D, Ma H, Zhu Y, et al. Calcium silicate hydrate from dry to saturated state: structure, dynamics and mechanical properties. Acta Mater. 2014;67:81–94. doi:10.1016/j.actamat.2013.12.016.
   Web of Science ®Google Scholar
• Gang WPQIAO, Lin YANG, Dong-shuai HOU, et al. Effect of PVA doping on the adsorption property of ions at C-S-H interface: a molecular dynamics simulation study. J. Qingdao University of Technology. 2020;41:17–21.
   Google Scholar
• Wang Q, Pan S, Bai J, et al. Experimental and dynamics simulation studies of the molecular modeling and reactivity of the yaojie oil shale kerogen. Fuel. 2018;230:319–330. doi:10.1016/j.fuel.2018.05.031.
   Web of Science ®Google Scholar
• Zhou Y, Huang J, Yang X, et al. Enhancing the PVA fiber-matrix interface properties in ultra high performance concrete: An experimental and molecular dynamics study. Constr Build Mater. 2021;285:1–12. doi:10.1016/j.conbuildmat.2021.122862.
   Web of Science ®Google Scholar
• Yu Y, Zhu w, Xiao J, et al. Molecular dynamics simulation of binding energies and mechanical properties of energetic systems with four components. ACTA CHIMICA SINICA. 2010;68:1181–1187.
   Web of Science ®Google Scholar
• Xia L, Xiao J-J, Fan J-F, et al. Molecular dynamics simulation of mechanical properties and surface interaction for nitrate plasticizer. ACTA CHIMICA SINICA. 2008;66:874–878.
   Web of Science ®Google Scholar
• Jiayuan YE, Wensheng Z, Hongxia W, et al. Structure OF CALCIUM SILICATE HYDRATE Ca4Si6O14(OH)4.2H20 SIMULATED BY THE MOLECULAR DYNAMICS. JOURNAL OF THE CHINESE CERAMIC SOCIETY. 2010;38:2346–2352. doi:10.14062/j.issn.0454-5648.2010.12.009.
   Google Scholar