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Multifaceted Roles of Additives in Regulating Crystal Growth: A Case of Acephate
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-12-21 , DOI: 10.1021/acs.iecr.4c04030
Mingzhe Tan, Xin Huang, Lek Wantha, Xue Bai, Ting Wang, Na Wang, Chuang Xie, Zhao Wang, Hongxun Hao

Regulating crystal growth to obtain crystals with different sizes is of great importance for both natural and industrial processes. In this study, the complex influence of additives on crystal growth was systematically investigated using acephate as a model compound. The kinetics of crystal growth in the presence of various small molecule additives, including cetyltrimethylammonium bromide (CTAB), acetamide, thioacetamide, and benzoic acid, were analyzed. The effects of these additives on solubility, morphology, polymorphism, and crystal growth were examined. Additives can significantly affect the growth rate, acting as both accelerants and inhibitors. CTAB and benzoic acid had the ability to inhibit it; thioacetamide had the ability to promote it, while acetamide had no effect. Moreover, molecular simulations were adopted to propose mechanisms for the different regulating effects of the different additives. Also, the mechanism of growth regulation was proposed based on simulations and experiments. Additives affected crystal growth by impacting many kinds of interactions in the solution body and crystal surfaces.

中文翻译:


添加剂在调节晶体生长中的多方面作用:以 Acephate 为例



调节晶体生长以获得不同尺寸的晶体对于自然和工业过程都非常重要。在本研究中,以 acephate 为模型化合物,系统研究了添加剂对晶体生长的复杂影响。分析了各种小分子添加剂(包括十六烷基三甲基溴化铵 (CTAB)、乙酰胺、硫代乙酰胺和苯甲酸)存在下的晶体生长动力学。研究了这些添加剂对溶解度、形态、多晶型和晶体生长的影响。添加剂可以显着影响生长速率,既是促进剂又是抑制剂。CTAB 和苯甲酸具有抑制作用;硫代乙酰胺具有促进作用,而乙酰胺则无作用。此外,采用分子模拟提出不同添加剂的不同调节作用机制。此外,基于模拟和实验提出了生长调节机制。添加剂通过影响溶液体和晶体表面的多种相互作用来影响晶体生长。
更新日期:2024-12-21
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