Freezing mechanism of NaCl solution ultra-confined on surface of calcium-silicate-hydrate: A molecular dynamics study
Cement-based materials in cold regions usually suffer deicer-frost deterioration. To better understand the frozen behavior of the calcium silicate hydrate (C-S-H), molecular dynamics is utilized to investigate the freezing processes of gel surface NaCl solution. The presence of C-S-H substrate significantly reduces the freezing temperature of water molecules ultra-confined on the C-S-H surface, which is 17 K lower than that of bulk water. While majority of random distributed water molecules crystallize to hexagonal ice (Ih) structure, molecules within 0.6 nm of C-S-H substrate cannot form ordered ice crystal at 225 K. The non-icing water layer and lower freezing point are mainly due to oxygen atoms on the silicate chains that provide strong hydrogen bonds with neighboring water and restrict the water orientation. Ionic clusters formed in unfrozen solution are important influence factor for water freezing. Hopefully, this work can provide molecular insights of cement-based materials design in cold regions.
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Availability:
- Find a library where document is available. Order URL: http://worldcat.org/issn/00088846
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Supplemental Notes:
- © 2022 Elsevier Ltd. All rights reserved. Abstract reprinted with permission of Elsevier.
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Authors:
- Liang, Te
- Lai, Yuanming
- Hou, Dongshuai
- Yang, Qingrui
- Yang, Yi
- Bai, Ruiqiang
- Zhang, Jing
- Jiang, Jing
- Publication Date: 2022-4
Language
- English
Media Info
- Media Type: Web
- Features: Figures; References; Tables;
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Serial:
- Cement and Concrete Research
- Volume: 154
- Issue Number: 0
- Publisher: Elsevier
- ISSN: 0008-8846
- Serial URL: http://www.sciencedirect.com/science/journal/00088846
Subject/Index Terms
- TRT Terms: Calcium silicate; Concrete; Freezing; Freezing point; Frigid regions; Hydrates; Molecular structure; Sodium chloride
- Subject Areas: Highways; Maintenance and Preservation; Pavements;
Filing Info
- Accession Number: 01834511
- Record Type: Publication
- Files: TRIS
- Created Date: Jan 25 2022 5:52PM