Investigation of hydration of potassium carbonate via reactive force-field molecular dynamics simulations
Jianquan Lin, Qian Zhao, Haotian Huang, Yimin Xiao
Topics & Concepts
SorptionMoleculeHydrogen bondChemistryMolecular dynamicsPotassium carbonateHydrolysisDiffusionMonolayerChemical engineeringThermodynamicsPhysical chemistryAdsorptionComputational chemistryOrganic chemistryPhysicsEngineeringBiochemistryCalcium Carbonate Crystallization and InhibitionMembrane Separation and Gas TransportGranular flow and fluidized beds