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Molecular dynamics ...
Molecular dynamics simulations of ion migration and adsorption on the surfaces of AFm hydrates
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- Cao, Jie (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand,Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, PR China
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- Kong, Lingyi (författare)
- Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, PR China
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- Guo, Tong (författare)
- Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, PR China
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- Shi, Pan (författare)
- Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, PR China
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- Wang, Chao, 1991- (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand
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- Tu, Yongming (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand,Key Laboratory of Concrete and Prestressed Concrete Structures of Ministry of Education, National Engineering Research Center for Prestressing Technology, School of Civil Engineering, Southeast University, 211189 Nanjing, PR China
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- Sas, Gabriel (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand,SINTEF Narvik AS, Narvik 8517, Norway
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- Elfgren, Lennart, Senior Professor, 1942- (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand
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(creator_code:org_t)
- Elsevier, 2023
- 2023
- Engelska.
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Ingår i: Applied Surface Science. - : Elsevier. - 0169-4332 .- 1873-5584. ; 615
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Chloride salts can cause severe corrosion damage to reinforcing steel bars in cement-based materials whereas nitrite salts inhibit corrosion. The storage and release of these two anions in cement materials occurs mainly at the interface of monosulfoaluminate (AFm) hydrates. In this paper, molecular dynamics are used to analyze the interaction between anions and AFm phases and clarify the competitive relationships between the anions at adsorption sites on the AFm surface. It was found that the ordered structure of the [Ca2Al(OH)6]+ layers of the AFm plays a key role in anion adsorption and that the mobility of ions desorbed from AFm layers decreases linearly with increasing proximity to the AFm surfaces.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- Interface interaction
- Ion corrosion
- Ion mobility
- Molecular dynamics
- Monosulfoaluminate hydrate
- Byggkonstruktion
- Structural Engineering
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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