IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v15y2024i1d10.1038_s41467-024-46962-w.html
   My bibliography  Save this article

The initial stages of cement hydration at the molecular level

Author

Listed:
  • Xinhang Xu

    (Central South University)

  • Chongchong Qi

    (Central South University
    University of Western Australia
    Central South University)

  • Xabier M. Aretxabaleta

    (University of the Basque Country UPV/EHU, Barrio Sarriena s/n)

  • Chundi Ma

    (Central South University)

  • Dino Spagnoli

    (University of Western Australia)

  • Hegoi Manzano

    (University of the Basque Country UPV/EHU, Barrio Sarriena s/n)

Abstract

Cement hydration is crucial for the strength development of cement-based materials; however, the mechanism that underlies this complex reaction remains poorly understood at the molecular level. An in-depth understanding of cement hydration is required for the development of environmentally friendly cement and consequently the reduction of carbon emissions in the cement industry. Here, we use molecular dynamics simulations with a reactive force field to investigate the initial hydration processes of tricalcium silicate (C3S) and dicalcium silicate (C2S) up to 40 ns. Our simulations provide theoretical support for the rapid initial hydration of C3S compared to C2S at the molecular level. The dissolution pathways of calcium ions in C3S and C2S are revealed, showing that, two dissolution processes are required for the complete dissolution of calcium ions in C3S. Our findings promote the understanding of the calcium dissolution stage and serve as a valuable reference for the investigation of the initial cement hydration.

Suggested Citation

  • Xinhang Xu & Chongchong Qi & Xabier M. Aretxabaleta & Chundi Ma & Dino Spagnoli & Hegoi Manzano, 2024. "The initial stages of cement hydration at the molecular level," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-46962-w
    DOI: 10.1038/s41467-024-46962-w
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-024-46962-w
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-024-46962-w?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    References listed on IDEAS

    as
    1. Elizaveta Pustovgar & Rahul P. Sangodkar & Andrey S. Andreev & Marta Palacios & Bradley F. Chmelka & Robert J. Flatt & Jean-Baptiste d’Espinose de Lacaillerie, 2016. "Understanding silicate hydration from quantitative analyses of hydrating tricalcium silicates," Nature Communications, Nature, vol. 7(1), pages 1-9, April.
    2. Ali, M.B. & Saidur, R. & Hossain, M.S., 2011. "A review on emission analysis in cement industries," Renewable and Sustainable Energy Reviews, Elsevier, vol. 15(5), pages 2252-2261, June.
    3. Mokrzycki, Eugeniusz & Uliasz-Bochenczyk, Alicja & Sarna, Mieczyslaw, 2003. "Use of alternative fuels in the Polish cement industry," Applied Energy, Elsevier, vol. 74(1-2), pages 101-111, January.
    4. Sabbie A. Miller & Frances C. Moore, 2020. "Climate and health damages from global concrete production," Nature Climate Change, Nature, vol. 10(5), pages 439-443, May.
    5. Yunjian Li & Hui Pan & Qing Liu & Xing Ming & Zongjin Li, 2022. "Ab initio mechanism revealing for tricalcium silicate dissolution," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    6. Mokrzycki, Eugeniusz & Uliasz- Bochenczyk, Alicja, 2003. "Alternative fuels for the cement industry," Applied Energy, Elsevier, vol. 74(1-2), pages 95-100, January.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Mikulčić, Hrvoje & Vujanović, Milan & Duić, Neven, 2013. "Reducing the CO2 emissions in Croatian cement industry," Applied Energy, Elsevier, vol. 101(C), pages 41-48.
    2. Li, Jia & Tharakan, Pradeep & Macdonald, Douglas & Liang, Xi, 2013. "Technological, economic and financial prospects of carbon dioxide capture in the cement industry," Energy Policy, Elsevier, vol. 61(C), pages 1377-1387.
    3. Aranda Usón, Alfonso & López-Sabirón, Ana M. & Ferreira, Germán & Llera Sastresa, Eva, 2013. "Uses of alternative fuels and raw materials in the cement industry as sustainable waste management options," Renewable and Sustainable Energy Reviews, Elsevier, vol. 23(C), pages 242-260.
    4. Huh, Sung-Yoon & Lee, Hyejin & Shin, Jungwoo & Lee, Donghyun & Jang, Jinyoung, 2018. "Inter-fuel substitution path analysis of the korea cement industry," Renewable and Sustainable Energy Reviews, Elsevier, vol. 82(P3), pages 4091-4099.
    5. Reza, Bahareh & Soltani, Atousa & Ruparathna, Rajeev & Sadiq, Rehan & Hewage, Kasun, 2013. "Environmental and economic aspects of production and utilization of RDF as alternative fuel in cement plants: A case study of Metro Vancouver Waste Management," Resources, Conservation & Recycling, Elsevier, vol. 81(C), pages 105-114.
    6. Grzegorz Ludwik Golewski, 2020. "Energy Savings Associated with the Use of Fly Ash and Nanoadditives in the Cement Composition," Energies, MDPI, vol. 13(9), pages 1-20, May.
    7. Saidur, R. & Atabani, A.E. & Mekhilef, S., 2011. "A review on electrical and thermal energy for industries," Renewable and Sustainable Energy Reviews, Elsevier, vol. 15(4), pages 2073-2086, May.
    8. Puig-Arnavat, Maria & Søgaard, Martin & Hjuler, Klaus & Ahrenfeldt, Jesper & Henriksen, Ulrik Birk & Hendriksen, Peter Vang, 2015. "Integration of oxygen membranes for oxygen production in cement plants," Energy, Elsevier, vol. 91(C), pages 852-865.
    9. Essossinam Beguedou & Satyanarayana Narra & Ekua Afrakoma Armoo & Komi Agboka & Mani Kongnine Damgou, 2023. "Alternative Fuels Substitution in Cement Industries for Improved Energy Efficiency and Sustainability," Energies, MDPI, vol. 16(8), pages 1-29, April.
    10. Song, Dan & Yang, Jin & Chen, Bin & Hayat, Tasawar & Alsaedi, Ahmed, 2016. "Life-cycle environmental impact analysis of a typical cement production chain," Applied Energy, Elsevier, vol. 164(C), pages 916-923.
    11. Ali, M.B. & Saidur, R. & Hossain, M.S., 2011. "A review on emission analysis in cement industries," Renewable and Sustainable Energy Reviews, Elsevier, vol. 15(5), pages 2252-2261, June.
    12. Ewa Strzałkowska, 2023. "Ashes Qualified as a Source of Selected Critical Elements (REY, Co, Ga, V)," Energies, MDPI, vol. 16(8), pages 1-19, April.
    13. Bernardo, G. & Marroccoli, M. & Nobili, M. & Telesca, A. & Valenti, G.L., 2007. "The use of oil well-derived drilling waste and electric arc furnace slag as alternative raw materials in clinker production," Resources, Conservation & Recycling, Elsevier, vol. 52(1), pages 95-102.
    14. Christos Aristeides Tsiliyannis, 2018. "Industrial Wastes and By‐products as Alternative Fuels in Cement Plants: Evaluation of an Industrial Symbiosis Option," Journal of Industrial Ecology, Yale University, vol. 22(5), pages 1170-1188, October.
    15. Martínez, Juan Daniel & Puy, Neus & Murillo, Ramón & García, Tomás & Navarro, María Victoria & Mastral, Ana Maria, 2013. "Waste tyre pyrolysis – A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 23(C), pages 179-213.
    16. Tsiliyannis, C.A., 2016. "Cement manufacturing using alternative fuels: Enhanced productivity and environmental compliance via oxygen enrichment," Energy, Elsevier, vol. 113(C), pages 1202-1218.
    17. Teklay, Abraham & Yin, Chungen & Rosendahl, Lasse, 2016. "Flash calcination of kaolinite rich clay and impact of process conditions on the quality of the calcines: A way to reduce CO2 footprint from cement industry," Applied Energy, Elsevier, vol. 162(C), pages 1218-1224.
    18. Lamas, Wendell de Queiroz & Palau, Jose Carlos Fortes & Camargo, Jose Rubens de, 2013. "Waste materials co-processing in cement industry: Ecological efficiency of waste reuse," Renewable and Sustainable Energy Reviews, Elsevier, vol. 19(C), pages 200-207.
    19. Tsiligiannis, Aristeides & Tsiliyannis, Christos, 2020. "Oil refinery sludge and renewable fuel blends as energy sources for the cement industry," Renewable Energy, Elsevier, vol. 157(C), pages 55-70.
    20. Cho, Seong-Heon & Oh, Jeong-Ik & Jung, Sungyup & Park, Young-Kwon & Tsang, Yiu Fai & Ok, Yong Sik & Kwon, Eilhann E., 2020. "Catalytic pyrolytic platform for scrap tires using CO2 and steel slag," Applied Energy, Elsevier, vol. 259(C).

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-46962-w. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.