ArticleMaterials (Basel, Switzerland)2022
Dissolution of Portlandite in Pure Water: Part 2 Atomistic Kinetic Monte Carlo (KMC) Approach.
Article in Materials (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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14 citing papers in PubMed.
- Effects of Relative Humidity on Dissolution and Carbonation Potential of Portlandite.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Coarse-Grained Monte Carlo Simulations of Graphene-Enhanced Geopolymer Nanocomposite Nucleation.Nanomaterials (Basel, Switzerland) · 2025Article
- Atomistic Insights into Silicate Dissolution of Metakaolinite under Alkaline Conditions:Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Coarse-Grained Monte Carlo Simulations with Octree Cells for Geopolymer Nucleation at Different pH Values.Materials (Basel, Switzerland) · 2023Article
- Physical and Mechanical Effects of Silica Sand in Cement Mortars: Experimental and Statistical Modeling.Materials (Basel, Switzerland) · 2023Article
- Interaction of Nitrite Ions with Hydrated Portlandite Surfaces: Atomistic Computer Simulation Study.Materials (Basel, Switzerland) · 2023Article
- Metaheuristic Optimization of Random Forest for Predicting Punch Shear Strength of FRP-Reinforced Concrete Beams.Materials (Basel, Switzerland) · 2023Article
- Silicate Dissolution Mechanism from Metakaolinite Using Density Functional Theory.Nanomaterials (Basel, Switzerland) · 2023Article
- 3D Off-Lattice Coarse-Grained Monte Carlo Simulations for Nucleation of Alkaline Aluminosilicate Gels.Materials (Basel, Switzerland) · 2023Article
- Synergistic Effect and Mechanism of Nano-C-S-H Seed and Calcium Sulfoaluminate Cement on the Early Mechanical Properties of Portland Cement.Materials (Basel, Switzerland) · 2023Article
- C-S-H Seeds Accelerate Early Age Hydration of Carbonate-Activated Slag and the Underlying Mechanism.Materials (Basel, Switzerland) · 2023Article
- Dissolution of β-CMaterials (Basel, Switzerland) · 2022Article
- Dissolution of β-CMaterials (Basel, Switzerland) · 2022Article
- Dissolution of Portlandite in Pure Water: Part 1 Molecular Dynamics (MD) Approach.Materials (Basel, Switzerland) · 2022Article
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5 authors.
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Abstract
Portlandite, as a most soluble cement hydration reaction product, affects mechanical and durability properties of cementitious materials. In the present work, an atomistic kinetic Monte Carlo (KMC) upscaling approach is implemented in MATLAB code in order to investigate the dissolution time and morphology changes of a hexagonal platelet portlandite crystal. First, the atomistic rate constants of individual Ca dissolution events are computed by a transition state theory equation based on inputs of the computed activation energies (Δ
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