Molecular dynamics simulations of solvent effects on the crystal morphology of lithium carbonate
Hang Chen, Shaojun Duan, Yuzhu Sun, Xingfu Song, Jianguo Yu
Abstract
crystal. The growth morphology and the corresponding X-ray powder diffraction pattern derived from the modified AE model were in accordance with the results observed in experiments. The related model provides an important basis for the further investigation of the effects of impurities.
Topics & Concepts
Lithium carbonateLithium (medication)Molecular dynamicsCarbonateSolventCrystal (programming language)ChemistryMorphology (biology)Chemical engineeringChemical physicsCrystallographyMaterials scienceInorganic chemistryComputational chemistryOrganic chemistryIonGeologyComputer scienceEngineeringPsychologyProgramming languageIonic bondingPaleontologyPsychiatryCrystallization and Solubility StudiesChemical and Physical Properties in Aqueous SolutionsCrystallography and molecular interactions