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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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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
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author Wang, Guangle
Shang, Zeren
Liu, Mingdi
Dong, Weibing
Li, Haichao
Yin, Haiqing
Gong, Junbo
Wu, Songgu
author_facet Wang, Guangle
Shang, Zeren
Liu, Mingdi
Dong, Weibing
Li, Haichao
Yin, Haiqing
Gong, Junbo
Wu, Songgu
author_sort Wang, Guangle
collection PubMed
description 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.
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spelling pubmed-92685832022-07-09 Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width Wang, Guangle Shang, Zeren Liu, Mingdi Dong, Weibing Li, Haichao Yin, Haiqing Gong, Junbo Wu, Songgu Molecules Article 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. MDPI 2022-06-24 /pmc/articles/PMC9268583/ /pubmed/35807330 http://dx.doi.org/10.3390/molecules27134085 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Wang, Guangle
Shang, Zeren
Liu, Mingdi
Dong, Weibing
Li, Haichao
Yin, Haiqing
Gong, Junbo
Wu, Songgu
Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title_full Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title_fullStr Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title_full_unstemmed Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title_short Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
title_sort insight into the nucleation mechanism of p-methoxybenzoic acid in ethanol-water system from metastable zone width
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268583/
https://www.ncbi.nlm.nih.gov/pubmed/35807330
http://dx.doi.org/10.3390/molecules27134085
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