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Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width

The metastable zone width (MSZW) of p-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order m obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechanism at low saturation temperature (m =...

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Detalles Bibliográficos
Autores principales: Wang, Guangle, Shang, Zeren, Liu, Mingdi, Dong, Weibing, Li, Haichao, Yin, Haiqing, Gong, Junbo, Wu, Songgu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268583/
https://www.ncbi.nlm.nih.gov/pubmed/35807330
http://dx.doi.org/10.3390/molecules27134085
Descripción
Sumario:The metastable zone width (MSZW) of p-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order m obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechanism at low saturation temperature (m = 3.18–7.50) and an instantaneous nucleation mechanism at high saturation temperature (m = 1.46–2.55). Then, combined with the metastable zone experiment and the Sangwal model, we found that the MSZW and the interfacial energy reached the maximum when the mass fraction of ethanol was 0.8, which resulted in the smallest crystal product size. Meanwhile, the maximum [Formula: see text] and [Formula: see text] obtained based on the modified Sangwal model indicating the PMBA needs to overcome a higher nucleation barrier in the ethanol mass fraction of 0.8. Finally, we proposed a preferential strategy for adjusting MSZW by correlating the interfacial energy with the change in ethanol mass fraction, saturation temperature, and cooling rate, respectively.