Romain Dupuis
77 Massachusetts Ave, E19-722, Cambridge, MA 02139

Siminar at NUS (Singapore)

Title: Simulation of the cement strength retrogration

organised by Dr. Moon Ju Hyuk



Cementitious materials are widely used by the mankind. Research is made to reduce its production costs, its environmental impact and to increase its durability. For this, several approaches are used including experiments and theoretical works. At the DIPC/CFM we are simulating the different phases of the cement paste at the atomic scale using advanced methods. In a collaborative project with Tecnalia Research and Innovation and INTEVEP‐PDVSA, we study the C‐S‐H gel which is the most common phase of cements. This phase is important because it gives the strength to the cement and glue its structure. At high temperature, the C‐S‐H gel goes through an irreversible phase transition that reduces the lifetime of the cement. The product of the phase transition is a crystal (see figure) that is more compact than the C‐S‐H gel; cracks appears in the cement due to the contraction of this phase. We investigate if this transition can be avoided looking at the mechanism of transition and at the energetical properties of the system. In this presentation, we will briefly present methods that we use to study the C‐S‐H gel. Using those, we understood the mechanism of transition which consist in multiple dissociations of Si‐O‐Si bonds. Moreover, we can suggest a way to push back the dissociation and consequently the phase transition.

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