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Manipulation of Morphology, Particle Size of Barium Sulfate and the Interacting Mechanism of Methyl Glycine Diacetic Acid.

Jing LiYanan ZhouJingkang WangNa WangJingtao BiXin LiKui ChenHongxun Hao
Published in: Molecules (Basel, Switzerland) (2023)
In this paper, methyl glycine diacetic acid (MGDA) was found to have great influence on the morphology and particle size of barium sulfate. The effects of additive, concentration, value of pH and reaction temperature on the morphology and particle size of barium sulfate were studied in detail. The results show that the concentration of reactant and temperature have little effect on the particle size of barium sulfate. However, the pH conditions of the solution and the dosage of MGDA can apparently affect the particle size distribution of barium sulfate. The particle size of barium sulfate particles increases and the morphology changes from polyhedral to rice-shaped with the decreasing of the dosage of MGDA. In solution with higher pH, smaller and rice-shaped barium sulfate was obtained. To investigate the interacting mechanism of MGDA, the binding energy between MGDA and barium sulfate surface was calculated. It was found that the larger absolute value of the binding energy would result in stronger growth inhibition on the crystal face. Finally, the experimental data and theoretical calculations were combined to elucidate the interacting mechanism of the additive on the morphology and particle size of barium sulfate.
Keyphrases
  • machine learning
  • electronic health record
  • artificial intelligence
  • density functional theory
  • solid state