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The adsorption of t...
The adsorption of two organic inhibitors on stainless steel passive film: A reactive force field study
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- Yuan, Lei (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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- Lin, Yuxuan (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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- Wen, Rongjia (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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- Yu, Qian (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,ey 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 (författare)
- Luleå tekniska universitet,Byggkonstruktion och brand
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(creator_code:org_t)
- Elsevier B.V. 2023
- 2023
- Engelska.
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Ingår i: Applied Surface Science. - : Elsevier B.V.. - 0169-4332 .- 1873-5584. ; 607
- 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
- Reactive molecular dynamics (MD) simulations were performed to investigate the adsorption of water and the organic corrosion inhibitors vitamin C (VC) and 2-vinylsuccinic acid (VSA) on Cr2O3 (0 0 1) surface. Adsorption of the inhibitors is accompanied by the formation of Cr-O covalent bonds and O…H hydrogen bonds. The superior corrosion inhibition performance of VC than VSA and their preferential parallel adsorption geometry can be attributed to more bonds to the surface. The adsorption of water on the Cr2O3 surface leads to the formation of a multilayered structure with a higher atomic intensity than bulk water in which the first two layers interact directly with the metal oxide surface. When an inhibitor layer and water are both present, the inhibitor effectively blocks Cr2O3-water interactions but water significantly weakens the inhibitor's adsorption. These findings shed new light on the mechanism of corrosion inhibition in stainless steel.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- Reactive MD simulation
- Organic inhibitor
- Vitamin C
- 2-Vinylsuccinic acid
- Cr2O3 surface
- Corrosion inhibition study
- Byggkonstruktion
- Structural Engineering
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Yuan, Lei
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Lin, Yuxuan
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Guo, Tong
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Wen, Rongjia
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Yu, Qian
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Wang, Chao, 1991 ...
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visa fler...
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Tu, Yongming
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Sas, Gabriel
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Elfgren, Lennart
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visa färre...
- Om ämnet
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Fysikalisk kemi
- Artiklar i publikationen
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Applied Surface ...
- Av lärosätet
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Luleå tekniska universitet