A comprehensive review of C-S-H empirical and computational models, their applications, and practical aspects

Duque-Redondo, Eduardo; Bonnaud, Patrick; Manzano, Hegoi

doi:10.1016/j.cemconres.2022.106784

Cited by 63 publications

(42 citation statements)

References 228 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It should also be noted that the employed stoichiometry for C-S-H gel, i.e. (CaO) 1.80 (SiO 2 )(H 2 O) 4.0 56 , 57 , is an assumption and slightly smaller Ca/Si ratios, ∼1.70, have also been reported 12 , 58 . On the other hand, ettringite and portlandite particles have larger sizes, usually ranging 1-5 μm 3 , and they can be imaged in the present work.…”

Section: Resultsmentioning

confidence: 99%

4D nanoimaging of early age cement hydration

et al. 2023

View full text Add to dashboard Cite

Despite a century of research, our understanding of cement dissolution and precipitation processes at early ages is very limited. This is due to the lack of methods that can image these processes with enough spatial resolution, contrast and field of view. Here, we adapt near-field ptychographic nanotomography to in situ visualise the hydration of commercial Portland cement in a record-thick capillary. At 19 h, porous C-S-H gel shell, thickness of 500 nm, covers every alite grain enclosing a water gap. The spatial dissolution rate of small alite grains in the acceleration period, ∼100 nm/h, is approximately four times faster than that of large alite grains in the deceleration stage, ∼25 nm/h. Etch-pit development has also been mapped out. This work is complemented by laboratory and synchrotron microtomographies, allowing to measure the particle size distributions with time. 4D nanoimaging will allow mechanistically study dissolution-precipitation processes including the roles of accelerators and superplasticizers.

show abstract

Section: Resultsmentioning

confidence: 99%

4D nanoimaging of early age cement hydration

et al. 2023

View full text Add to dashboard Cite

show abstract

“…In this review, the recent advances in the molecular modeling of cementitious materials are presented and discussed. For more in-depth discussion, there are several review papers recently published on some of the topics discussed here [66,96,[119][120][121]. Many of the simulations that have been done so far are primarily, in our view, more of validation or comparison of structural and mechanical properties.…”

Section: Discussionmentioning

confidence: 99%

“…This was followed by the brick model of C-S-H which allows precise control over the type and location of defects in threedimensional structure of C-S-H [65]. It can be viewed as a bottom-up approach with inputs from experimental characterization of high Ca/Si ratio synthetic C-S-H. A more detailed discussion on the different C-S-H models, their limitations and advantages have been recently published [66] and is beyond the scope of this paper.…”

Section: C-s-h Atomistic Modelsmentioning

confidence: 99%

Molecular modelling of cementitious materials: current progress and benefits

et al. 2023

View full text Add to dashboard Cite

Developing new sustainable concrete technology has become an urgent need, requiring faster and deeper insights into the fundamental mechanisms driving the cement hydration reactions. Molecular simulations have the potential to provide such understanding since the hydration reaction and the cement chemistry are particularly dominated by mechanisms at the atomic scale. In this letter, we review the application of two major approaches namely classical (including reactive) molecular dynamics simulations and density function theory calculations of cementitious materials. We give an overview of molecular simulations involving the major mineral and hydrate phases.

show abstract

“…Many properties have been computed using these techniques (see recent reviews, e.g. [129][130][131]), also for cement phases beyond C -S -H [132][133][134][135]. In the context of self-healing concrete, albeit not for MICP, the most relevant efforts are those concerned with interfacial properties and interactions between cement minerals and other phases, typically organic ones.…”

Section: Models At Molecular Scalementioning

confidence: 99%