Temperature Dependence of Nanoconfined Water Properties: Application to Cementitious Materials

DOI Web Site 被引用文献4件 参考文献90件
  • Patrick A. Bonnaud
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan
  • Hegoi Manzano
    Condensed Matter Physics Department, University of the Basque Country, UPV/EHU, 48080, Bilbao, Spain
  • Ryuji Miura
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan
  • Ai Suzuki
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan
  • Naoto Miyamoto
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan
  • Nozomu Hatakeyama
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan
  • Akira Miyamoto
    New Industry Creation Hatchery Center, Tohoku University, Sendai, Miyagi 980-8579, Japan

説明

Nanoconfined water exhibits peculiar properties with respect to the bulk that plays a crucial role in damage processes affecting concrete sustainability. We employed molecular simulation techniques to investigate water physical properties in calcium–silicate–hydrate nanopores and compare them with bulk water. We considered systems opened to and isolated from the environment to characterize the effect of the density and the fluid order, respectively. Under freezing conditions, we found that the most disruptive effect in nanopores of cement paste arises from the hydraulic pressure. Upon heating, the water expansion in the closed porosity is the most disruptive process. Combining thermodynamic, structural, and dynamical data, we found liquid–liquid transitions in the temperature range 180–195 K. Further lowering the temperature, we found from translational mean-square displacements glass transitions at ∼170 K for all systems, except for bulk water in the open system, where the transition was located at ∼155 ...

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