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physics.chem-ph2026
Reaction mechanisms of sodium carbonate activation in ultra-high-volume slag-cement blends
Samira Hossain, Zhanzhao Li, Kai Gong
Ultra-high-volume slag-cement (UHVS) blends can substantially reduce clinker ratio, but slow slag reaction limits strength development; Na2CO3 is a less caustic and lower-carbon ac…
physics.chem-ph2026
Gel-Chemistry-Controlled Heavy-Metal Transport and Retention in Cementitious Gel Nanopores: A Molecular Dynamics Study
Weiqiang Chen, Qiyao He, Kai Gong
Cementitious materials are widely used for hazardous-waste encapsulation, yet molecular mechanisms governing heavy-metal ion retention across gel chemistries remain insufficiently…
physics.chem-ph2025
Insights into Ionic Diffusion in C-S-H Gel Pore from Molecular Dynamics Simulations: Spatial Distributions, Energy Barriers, and Structural Descriptor
Weiqiang Chen, Kai Gong
Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechani…