Mineral dissolution mechanism of alite polymorphs from ReaxFF molecular dynamics and 29Si NMR investigations
Haoyi Li, Qianqian Wang, Hegoi Manzano, Xiaodong Shen
Topics & Concepts
ReaxFFMolecular dynamicsDissolutionAliteMaterials scienceMechanism (biology)MineralChemistryThermodynamicsCrystallographyPhysical chemistryChemical physicsComputational chemistryMetallurgyPhysicsCementQuantum mechanicsInteratomic potentialPortland cementClinker (cement)Clay minerals and soil interactionsConcrete and Cement Materials ResearchGlass properties and applications