Separation of lattice-incorporated Cr(<scp>vi</scp>) from calcium carbonate by converting microcrystals into nanocrystals <i>via</i> the carbonation pathway based on the density functional theory study of incorporation energy
Xiaofeng Mo, Xueming Liu, Jianxin Chen, Shengcai Zhu, Wenbin Xu, Kan Tan, Qingwei Wang, Zhang Lin, Weizhen Liu
Abstract
Based on the DFT calculation of incorporation energy, a CO 2 -assisted phase transition method is designed to separate the incorporated Cr( vi ) in CaCO 3 lattice by converting CaCO 3 micro-crystals into nano-crystals and restraining the re-doping process.
Topics & Concepts
CarbonationNanocrystalDensity functional theoryDopingMaterials scienceLattice (music)Chemical engineeringCalcium carbonateNanoparticlePhase transitionCalciumChemical physicsNanotechnologyChemistryThermodynamicsComputational chemistryPhysicsMetallurgyOptoelectronicsComposite materialEngineeringAcousticsCalcium Carbonate Crystallization and InhibitionX-ray Diffraction in CrystallographyClay minerals and soil interactions