Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations
Yunjian Li, Haoqiang Ai, Kin Ho Lo, Youchao Kong, Hui Pan, Zongjin Li
Topics & Concepts
AdsorptionChemical physicsMoleculeMaterials scienceHOMO/LUMOMechanism (biology)SilicateElectron transferWork (physics)Chemical engineeringChemistryPhysical chemistryThermodynamicsOrganic chemistryPhysicsEngineeringQuantum mechanicsConcrete and Cement Materials ResearchMagnesium Oxide Properties and ApplicationsConcrete Properties and Behavior