Skip to main content
Fachgebiete
Automobil + Motoren Bauwesen + Immobilien Business IT + Informatik Elektrotechnik + Elektronik Energie + Nachhaltigkeit Finance + Banking Management + Führung Marketing + Vertrieb Maschinenbau + Werkstoffe Versicherung + Risiko
DE
EN
Bücher
Zeitschriften
Themenseiten
Organisationspsychologie Projektmanagement Marketing Smart Manufacturing
Weitere Formate
Podcasts Webinare Technik Webinare Wirtschaft Kongresse Veranstaltungskalender Awards
Jetzt Einzelzugang starten
Zugang für Unternehmen
Referenzkunden
SLX-Digitalkonferenz: Zukunftswerkstatt 2024

Mehr Umsatz mit Top-Kontakten

Am 7. Mai erfahren Sie, wie Vertriebsteams Leadgenerierung, Leadnurturing und Leadstrategien effizient steuern können.
Erweiterte Suche
Anmelden
nach oben
Erschienen in:
Background and Objectives Kapitel lesen Erstes Kapitel lesen

2020 | OriginalPaper | Buchkapitel

6. Models for the Cross-Linked Calcium Aluminate Silicate Hydrate (C–A–S–H) Gel

verfasst von : Dongshuai Hou

Erschienen in: Molecular Simulation on Cement-Based Materials

Verlag: Springer Singapore

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

How to lower the environmental footprint in the construction industry challenges the researchers in this field. The key measure should lie in the reduction of cement usage, since the manufacture of cement is a high energy cost industry that results in about 6–8% of the yearly man-made global CO2 emissions (Gartner and Hirao in Cem Concr Res 78:126–142, 2015 [1]). One common practice is to prepare concrete with cement clinker partially substituted by supplementary cementitious materials (SCMs) (e.g., blast furnace slag and fly ash are also industrial wastes).

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Jetzt informieren
Vorheriges Kapitel Molecular Simulation of Water and Ions Migration in the Nanometer Channel of Calcium Silicate Phase
Nächstes Kapitel Molecular Dynamics Study on Cement–Graphene Nanocomposite
Literatur
1.
Gartner, E., & Hirao, H. (2015). A review of alternative approaches to the reduction of CO2 emissions associated with the manufacture of the binder phase in concrete. Cement and Concrete Research, 78, 126–142.CrossRef
2.
Gao, Y., Hu, C., Zhang, Y., Li, Z., & Pan, J. (2018). Investigation on microstructure and microstructural elastic properties of mortar incorporating fly ash. Cement & Concrete Composites, 86.
3.
Hu, C., Li, Z., Gao, Y., Han, Y., & Zhang, Y. (2014). Investigation on microstructures of cementitious composites incorporating slag. Advances in Cement Research, 26(26), 222–232.CrossRef
4.
Hu, C. (2014). Microstructure and mechanical properties of fly ash blended cement pastes. Construction and Building Materials, 73, 618–625.CrossRef
5.
Ogawa, S., Nozaki, T., Yamada, K., Hirao, H., & Hooton, R. D. (2012). Improvement on sulfate resistance of blended cement with high alumina slag. Cement and Concrete Research, 42(2), 244–251.CrossRef
6.
Juenger, M. C. G., & Siddique, R. (2015). Recent advances in understanding the role of supplementary cementitious materials in concrete. Cement and Concrete Research, 78, 71–80.CrossRef
7.
Provis, J. L., & Bernal, S. A. (2014). Geopolymers and related alkali-activated materials. Annual Review of Materials Research, 44(44), 299–327.CrossRef
8.
Shi, C., Roy, D., & Krivenko, P. (2005). Alkali-activated cements and concretes.
9.
Lothenbach, B., Scrivener, K., & Hooton, R. D. (2011). Supplementary cementitious materials. Cement and Concrete Research, 41(12), 1244–1256.CrossRef
10.
Chen, W., & Brouwers, H. J. H. (2007). The hydration of slag. Part 1: Reaction models for alkali-activated slag. Journal of Materials Science, 42(2), 428–443.CrossRef
11.
Jackson, M. D., Chae, S. R., Mulcahy, S. R., Meral, C., Taylor, R., Li, P., et al. (2012). Unlocking the secrets of Al-tobermorite in Roman seawater concrete. American Mineralogist, 98(10), 1669–1687.CrossRef
12.
Faucon, P., Delagrave, A., Petit, J. C., Richet, C., Marchand, J. M., & Zanni, H. (1999). Aluminum incorporation in calcium silicate hydrates (C–S–H) depending on their Ca/Si ratio. Journal of Physical Chemistry B, 103(37).
13.
Sun, G. K., Young, J. F., & Kirkpatrick, R. J. (2006). The role of Al in C–S–H: NMR, XRD, and compositional results for precipitated samples. Cement and Concrete Research, 36(1), 18–29.CrossRef
14.
Andersen, M. D., Jakobsen, H. J., & Skibsted, J. (2006). A new aluminium-hydrate species in hydrated Portland cements characterized by Al and Si MAS NMR spectroscopy. Cement and Concrete Research, 36(1), 3–17.CrossRef
15.
Manzano, H., Dolado, J. S., & Ayuela, A. (2009). Aluminum incorporation to dreierketten silicate chains. Journal of Physical Chemistry B, 113(9), 2832.CrossRef
16.
Pardal, X., Brunet, F., Charpentier, T., Pochard, I., & Nonat, A. (2012). 27Al and 29Si solid-state NMR characterization of calcium–aluminosilicate–hydrate. Inorganic Chemistry, 51(3), 1827.CrossRef
17.
L’Hôpital, E., Lothenbach, B., Saout, G. L., Kulik, D., & Scrivener, K. (2015). Incorporation of aluminium in calcium–silicate–hydrates. Cement and Concrete Research, 75, 91–103.CrossRef
18.
Churakov, S. V., & Labbez, C. (2017). Thermodynamics and molecular mechanism of Al incorporation in calcium silicate hydrates. Journal of Physical Chemistry C, 121(8).
19.
Richardson, I. G. (2004). Tobermorite/jennite- and tobermorite/calcium hydroxide-based models for the structure of C–S–H: Applicability to hardened pastes of tricalcium silicate, β-dicalcium silicate, Portland cement, and blends of Portland cement with blast-furnace slag, metakaol. Cement and Concrete Research, 34(9), 1733–1777.CrossRef
20.
Myers, R. J., Bernal, S. A., Nicolas, R. S., & Provis, J. L. (2013). Generalized structural description of calcium-sodium aluminosilicate hydrate gels: The cross-linked substituted tobermorite model. Langmuir, 29(17), 5294–5306.CrossRef
21.
Taylor, H. F. W. (1986). Proposed structure for calcium silicate hydrate gel. Journal of the American Ceramic Society, 69(6), 464–467.CrossRef
22.
Taylor, H. F. W. (1956). Relationships between calcium silicates and clay minerals. Clay Minerals, 3(16), 98–111.CrossRef
23.
Richardson, I. G., Brough, A. R., Brydson, R., Groves, G. W., & Dobson, C. M. (1993). Location of aluminum in substituted calcium silicate hydrate (C–S–H) gels as determined by 29Si and 27Al NMR and EELS. Journal of the American Ceramic Society, 76(9), 2285–2288.CrossRef
24.
Pegado, L., Labbez, C., & Churakov, S. V. (2014). Mechanism of aluminium incorporation into C–S–H from ab initio calculations. Journal of Materials Chemistry A, 2(10), 3477–3483.CrossRef
25.
Bernal, S. A., Provis, J. L., Walkley, B., Nicolas, R. S., Gehman, J. D., Brice, D. G., et al. (2013). Gel nanostructure in alkali-activated binders based on slag and fly ash, and effects of accelerated carbonation. Cement and Concrete Research, 53(2), 127–144.CrossRef
26.
Myers, R. J., L’Hôpital, E., Provis, J. L., & Lothenbach, B. (2015). Effect of temperature and aluminium on calcium (alumino)silicate hydrate chemistry under equilibrium conditions. Cement and Concrete Research, 68, 83–93.CrossRef
27.
Ulm, F. J., Vandamme, M., Bobko, C., Ortega, J. A., Tai, K., & Ortiz, C. (2007). Statistical indentation techniques for hydrated nanocomposites: Concrete, bone, and shale. Journal of the American Ceramic Society, 90(9), 2677–2692.CrossRef
28.
Puertas, F., Palacios, M., Manzano, H., Dolado, J. S., Rico, A., & Rodríguez, J. (2011). A model for the C–A–S–H gel formed in alkali-activated slag cements. Journal of the European Ceramic Society, 31(12), 2043–2056.CrossRef
29.
Geng, G., Myers, R. J., Li, J., Maboudian, R., Carraro, C., Shapiro, D. A., et al. (2017). Aluminum-induced dreierketten chain cross-links increase the mechanical properties of nanocrystalline calcium aluminosilicate hydrate. Scientific Reports, 7.
30.
Shahsavari, R., Buehler, M. J., Pellenq, J. M., & Ulm, F. J. (2009). First-principles study of elastic constants and interlayer interactions of complex hydrated oxides: Case study of tobermorite and jennite. Journal of the American Ceramic Society, 92(10), 2323–2330.CrossRef
31.
Merlino, S., Bonaccorsi, E., & Armbruster, T. (2001). The real structure of tobermorite 11Å: Normal and anomalous forms, OD character and polytypic modifications. European Journal of Mineralogy, 13(3), 65–80.CrossRef
32.
Hamid, S. A. (1981). The crystal structure of the 11Å natural tobermorite Ca2.25[Si3O7.5(OH)1.5]·1H2O. Zeitschrift für Kristallographie—Crystalline Materials, 154(1–4), 189–198.
33.
Manzano, H., Moeini, S., Marinelli, F., Duin, A. C. T. V., Ulm, F. J., & Pellenq, J. M. (2012). Confined water dissociation in microporous defective silicates: Mechanism, dipole distribution, and impact on substrate properties. Journal of the American Chemical Society, 134(4), 2208–2215.CrossRef
34.
Pellenq, R. J., Kushima, A., Shahsavari, R., Van Vliet, K. J., Buehler, M. J., Yip, S., et al. (2009). A realistic molecular model of cement hydrates. Proceedings of the National Academy of Sciences of the United States of America, 106(38), 16102.CrossRef
35.
Shahsavari, R., Pellenq, J. M., & Ulm, F. J. (2011). Empirical force fields for complex hydrated calcio-silicate layered materials. Physical Chemistry Chemical Physics, 13(3), 1002–1011.CrossRef
36.
Aktulga, H. M., Fogarty, J. C., Pandit, S. A., & Grama, A. Y. (2012). Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques. Parallel Computing, 38(4–5), 245–259.CrossRef
37.
Plimpton, S. (1995). Fast parallel algorithms for short-range molecular dynamics. Journal of Computational Physics, 117(1), 1–19.CrossRef
38.
Hou, D., Zhao, T., Ma, H., & Li, Z. (2015). Reactive molecular simulation on water confined in the nanopores of the calcium silicate hydrate gel: Structure, reactivity, and mechanical properties. Journal of Physical Chemistry C, 119(3), 1346–1358.CrossRef
39.
Jennings, H. M. (2008). Refinements to colloid model of C–S–H in cement: CM-II. Cement and Concrete Research, 38(3), 275–289.CrossRef
40.
Muller, A. C. A., Scrivener, K. L., Gajewicz, A. M., & Mcdonald, P. J. (2013). Densification of C–S–H measured by 1H NMR relaxometry. Journal of Physical Chemistry C, 117(1), 403–412.CrossRef
41.
Ulm, F. J., Bazant, Z. P., & Wittmann, F. H. (2001). Micromechanical analysis of creep and shrinkage mechanisms. In Creep, shrinkage and durability of concrete and other quasi-brittle materials (p. 13). Oxford: Elsevier.
42.
Pellenq, J. M., Lequeux, N., & Damme, H. V. (2008). Engineering the bonding scheme in C–S–H: The iono-covalent framework. Cement and Concrete Research, 38(2), 159–174.CrossRef
43.
Manzano, H., Dolado, J. S., Griebel, M., & Hamaekers, J. (2010). A molecular dynamics study of the aluminosilicate chains structure in Al-rich calcium silicate hydrated (C–S–H) gels. Physica Status Solidi, 205(6), 1324–1329.CrossRef
44.
Qomi, M. J. A., Ulm, F. J., & Pellenq, J. M. (2012). Evidence on the dual nature of aluminum in the calcium–silicate–hydrates based on atomistic simulations. Journal of the American Ceramic Society, 95(3), 1128–1137.
45.
Jackson, M. D., Moon, J., Gotti, E., Taylor, R., Chae, S. R., Kunz, M., et al. (2013). Material and elastic properties of Al-tobermorite in ancient roman seawater concrete. Journal of the American Ceramic Society, 96(8), 2598–2606.CrossRef
46.
Geng, G., Myers, R. J., Qomi, M., & Monteiro, P. (2017). Densification of the interlayer spacing governs the nanomechanical properties of calcium–silicate–hydrate. Scientific Reports, 7(1).
47.
Oh, J. E., Clark, S. M., & Monteiro, P. J. M. (2011). Does the Al substitution in C–S–H(I) change its mechanical property? Cement and Concrete Research, 41(1), 102–106.CrossRef
48.
Hou, D., Hu, C., & Li, Z. (2017). Molecular simulation of the ions ultraconfined in the nanometer-channel of calcium silicate hydrate: Hydration mechanism, dynamic properties, and influence on the cohesive strength. Inorganic Chemistry, 56(4).
49.
Rawal, A., Smith, B. J., Athens, G. L., Edwards, C. L., Roberts, L., Gupta, V., et al. (2010). Molecular silicate and aluminate species in anhydrous and hydrated cements. Journal of the American Chemical Society, 132(21), 7321–7337.CrossRef
50.
Benoit, M., Ispas, S., & Tuckerman, M. E. (2001). Structural properties of molten silicates from ab initio molecular-dynamics simulations: Comparison between CaO–Al2O3–SiO2 and SiO2. Physical Review B, 64(22), 224205.
51.
Cormier, L., Neuville, D. R., & Calas, G. (2000). Structure and properties of low-silica calcium aluminosilicate glasses. Journal of Non-Crystalline Solids, 274(1), 110–114.CrossRef
52.
Youssef, M., Pellenq, R. J. M., & Yildiz, B. (2011). Glassy nature of water in an ultraconfining disordered material: The case of calcium–silicate–hydrate. Journal of the American Chemical Society, 133(8), 2499–2510.CrossRef
53.
Korb, J. P., & Monteilhet, L. (2007). Microstructure and texture of hydrated cement-based materials: A proton field cycling relaxometry approach. Cement and Concrete Research, 37(3), 295–302.CrossRef
54.
Bordallo, H. N., Aldridge, L. P., & Desmedt, A. (2006). Water dynamics in hardened ordinary Portland cement paste or concrete: From quasielastic neutron scattering. Journal of Physical Chemistry B, 110(36), 17966–17976.CrossRef
55.
Kocks, U. F., & Mecking, H. (2003). Physics and phenomenology of strain hardening: The FCC case. Progress in Materials Science, 48(3), 171–273.CrossRef
56.
Liu, L., Jaramillo-Botero, A., Goddard, W. A., & Sun, H. (2012). Development of a ReaxFF reactive force field for ettringite and study of its mechanical failure modes from reactive dynamics simulations. Journal of Physical Chemistry A, 116(15), 3918–3925.CrossRef
57.
Bonnaud, P. A., Ji, Q., Coasne, B., Pellenq, R. J., & Van Vliet, K. J. (2012). Thermodynamics of water confined in porous calcium–silicate–hydrates. Langmuir: The ACS Journal of Surfaces & Colloids, 28(31), 11422.CrossRef
58.
Hou, D., Ma, H., Li, Z., & Jin, Z. (2014). Molecular simulation of “hydrolytic weakening”: A case study on silica. Acta Materialia, 80, 264–277.CrossRef
59.
Zhu, T., Li, J., Lin, X., & Yip, S. (2005). Stress-dependent molecular pathways of silica–water reaction. Journal of the Mechanics and Physics of Solids, 53(7), 1597–1623.CrossRef
60.
Manzano, H., Durgun, E., López-Arbeloa, I., & Grossman, J. C. (2015). Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations. ACS Applied Materials & Interfaces, 7(27), 14726–14733.CrossRef
Metadaten
Titel
Models for the Cross-Linked Calcium Aluminate Silicate Hydrate (C–A–S–H) Gel
verfasst von
Dongshuai Hou
Copyright-Jahr
2020
Verlag
Springer Singapore
Buch
Molecular Simulation on Cement-Based Materials

Print ISBN: 978-981-13-8710-4

Electronic ISBN: 978-981-13-8711-1

Copyright-Jahr: 2020

DOI
https://doi.org/10.1007/978-981-13-8711-1_6

Premium Partner

    Marktübersichten

    Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen. 

    Zur Marktübersicht
    Bildnachweise