Molecular dynamics simulation of coupled water and ion adsorption in the nano-pores of a realistic calcium-silicate-hydrate gel
Yongming Tu, Qian Yu, Rongjia Wen, Pan Shi, Lei Yuan, Yuanhui Ji, Gabriel Sas, Lennart Elfgren
Topics & Concepts
AdsorptionCalcium silicate hydrateMolecular dynamicsMoleculeIonic bondingHydrateIonChemical engineeringSilicateSodium silicateSubstrate (aquarium)SodiumInorganic chemistryMaterials scienceSolvation shellChemistryHydrogen bondChemical physicsPhysical chemistryComposite materialComputational chemistryOrganic chemistrySolvationGeologyEngineeringCementOceanographyConcrete and Cement Materials ResearchBuilding materials and conservationMagnesium Oxide Properties and Applications