[HTML][HTML] A comprehensive review of CSH empirical and computational models, their applications, and practical aspects

E Duque-Redondo, PA Bonnaud, H Manzano - Cement and Concrete …, 2022 - Elsevier
The CSH gel is an elusive material. Its variable composition and disordered nature
complicate a complete characterization of its atomic structure, and the elaboration of models …

Atomic-level investigation into the transport of NaCl solution in porous cement paste: The effects of pore size and temperature

U Hayat, MF Kai, A Hu-Bao, JX Liew, JG Dai - Journal of Building …, 2024 - Elsevier
The durability of concrete is determined by the ion transport within porous calcium silicate
hydrate (C–S–H) gels. This study utilized molecular dynamics simulation to examine the …

Molecular dynamics study on structural characteristics and mechanical properties of sodium aluminosilicate hydrate with immobilized radioactive Cs and Sr ions

T Wang, Y Tu, T Guo, M Fang, P Shi, L Yuan… - Applied Clay …, 2023 - Elsevier
As a low-carbon, environment-friendly and economical resource for nuclear power
generation, radionuclide emission and storage has received worldwide attention …

Phenomenological description of the effect of glass dissolution on cement paste evolution in an integrated glass dissolution experiment

J Goethals, K Ferrand, R Mosser-Ruck, J Bonnet… - Applied …, 2024 - Elsevier
The interaction between nuclear glass surrogate and ordinary Portland cement (OPC) was
investigated through integrated static leach tests conducted at ambient temperature. Tests …

The interaction of graphene oxide with cement mortar: implications on reinforcing mechanisms

X Yao, E Shamsaei, K Sagoe-Crentsil… - Journal of Materials …, 2022 - Springer
A comprehensive insight into the interactions between cementitious matrices and graphene
oxide (GO) remains critical to the understanding of fundamental factors, such as reinforcing …

[HTML][HTML] APTES/Calcium silica hydrate nano-hybrid composites with enhanced mechanical properties

CA Orozco, E Duque-Redondo, XM Aretxabaleta… - … and Building Materials, 2024 - Elsevier
Reducing the cement content in the concrete mix by developing cementitious materials with
enhanced properties can contribute considerably to cut the CO2 emissions produced by the …

[HTML][HTML] Adsorption and migration of Cs and Na ions in geopolymers and zeolites

E Duque-Redondo, K Yamada, E Masoero… - Materials Today …, 2023 - Elsevier
Geopolymers may provide a more sustainable alternative to Portland Cement for various
possible applications. Geopolymers have attracted particular interest for the immobilization …

Molecular dynamics study on the adsorption of radioactive ions by geopolymers

Y Tu, T Wang, R Wen, J Cao, M Fang… - Advances in Cement …, 2023 - icevirtuallibrary.com
The construction of nuclear power plants necessitates careful consideration of the discharge
and fixation of nuclear waste. Geopolymers are new cement-based materials (CBMs) with …

Molecular Simulation of Chloride Ion Binding Mechanisms to Na-Doped Tobermorite 14 Å as a Model System for Sodium-Containing Cements

A Abdelkawy, CE White, M Youssef - The Journal of Physical …, 2023 - ACS Publications
Alternative cements, such as alkali-activated materials (AAMs), produced from the alkaline
activation of industrial byproducts, represent a potential lower-CO2 substitute for ordinary …

Theory of ionic diffusion in water-saturated porous solid with surface charge

T Ichikawa - Journal of Advanced Concrete Technology, 2022 - jstage.jst.go.jp
The theory of ionic diffusion in water-saturated porous solids with surface electric charges
has been constructed by using the general theory of diffusion, Gauss's law, and the …