College of Chemical Engineering, North China University of Science and Technology, Tangshan 063210, China.
National Engineering Research Center of Industrial Crystallization Technology, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China.
Molecules. 2023 Jan 11;28(2):726. doi: 10.3390/molecules28020726.
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.
本文发现甲基甘氨酸二乙酸（MGDA）对硫酸钡的形貌和粒径有很大的影响。详细研究了添加剂、浓度、pH 值和反应温度对硫酸钡形貌和粒径的影响。结果表明，反应物浓度和温度对硫酸钡粒径的影响很小，但溶液的 pH 值条件和 MGDA 的用量明显影响硫酸钡的粒径分布。随着 MGDA 用量的减少，硫酸钡颗粒的粒径增大，形态从多面体形变为稻穗形。在较高 pH 值的溶液中，得到了更小的、稻穗形的硫酸钡。为了研究 MGDA 的相互作用机制，计算了 MGDA 与硫酸钡表面之间的结合能。结果表明，结合能的绝对值越大，对晶面的生长抑制作用越强。最后，将实验数据和理论计算结合起来，阐明了添加剂对硫酸钡形貌和粒径的相互作用机制。
