de Leeuw, NH;
A Computer Simulation Study of the Effects of Anions on Nickel Carbonate Crystallization Process.
CHINESE J INORG CHEM
1823 - 1828.
Crystallization behaviors of nickel carbonate in different solutions are investigated via atomistic simulation technique. Simulation results show that the effect of hydration on the surface enables surface more stable and morphology more regular. The interaction between SO42- and crystal surface is strong but SO42- has little effect on the crystal morphology. Cl- has relatively weaker interaction with the surface but makes the crystal morphology irregular. Only dominant (104) face is expressed in each mentioned cases. The simulation results are in good agreement with experiments.
|Title:||A Computer Simulation Study of the Effects of Anions on Nickel Carbonate Crystallization Process|
|Keywords:||computer simulation, nickel carbonate, crystallization process, anion effect|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
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