- Journal Article
Rights / licenseCreative Commons Attribution 4.0 International
Chemical admixtures are an essential ingredient of modern concrete mix, but many of their molecular scale working mechanisms remain poorly described. In this respect, recent advances in computational methods, provide a unique opportunity to gain the needed molecular level insights into the mechanism of action of chemical admixtures in cementitious systems. Such studies are slowly increasing in number and this paper proposes a review on approaches that deal with molecular simulations of chemical admixtures. The key properties studied so far are mainly adsorption behaviors and conformations of monomers, oligomers and polymers (molecular weight ~ 10,000 g/mol). Our aim is to identify opportunities, challenges and give perspectives on the future of molecular modeling of chemical admixture-cement interactions. Show more
Journal / seriesCement and Concrete Research
Pages / Article No.
SubjectAdmixture; Cement; PCE; Molecular dynamics simulation
172481 - Molecular control of cement hydration through tailored chemical admixtures (SNF)
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