2021
DOI: 10.1002/adts.202100079
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Comparison of Adsorption Conformation of Comb‐Shaped Polycarboxylate on Tricalcium Aluminate (100) and Ettringite (100) Surfaces: A Molecular Dynamics Study

Abstract: The adsorption conformations of three comb‐shaped polycarboxylate (PCE) with different numbers of grafted side‐chains on the tricalcium aluminate (C3A) and ettringite surface is studied by all‐atom molecular dynamics (MD) simulations with INTERFACE‐PCFF forcefield. The similarity of absorbed PCEs on both surfaces is backbones of PCEs absorbed on the surface and the side‐chains extended to liquid phase. The difference is that side‐chains of PCEs keep a tilt angle with the C3A crystal but maintain parallel and c… Show more

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Cited by 5 publications
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“…As a result, the chart started to trend downward in some areas. Superplasticizers reacted with C3A, one of the primary components of Portland cement, whose hydration was inhibited, despite the lack of a precise explanation for how they work [33]. Ettringite crystals begin to develop as small, roughly cubical particles rather than needles as a physical result of this.…”
Section: Discussionmentioning
confidence: 99%
“…As a result, the chart started to trend downward in some areas. Superplasticizers reacted with C3A, one of the primary components of Portland cement, whose hydration was inhibited, despite the lack of a precise explanation for how they work [33]. Ettringite crystals begin to develop as small, roughly cubical particles rather than needles as a physical result of this.…”
Section: Discussionmentioning
confidence: 99%