Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width
The metastable zone width (MSZW) of <i>p</i>-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order <i>m</i> obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechan...
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| Format: | Article |
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MDPI AG
2022-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/13/4085 |
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| author | Guangle Wang Zeren Shang Mingdi Liu Weibing Dong Haichao Li Haiqing Yin Junbo Gong Songgu Wu |
| author_facet | Guangle Wang Zeren Shang Mingdi Liu Weibing Dong Haichao Li Haiqing Yin Junbo Gong Songgu Wu |
| author_sort | Guangle Wang |
| collection | DOAJ |
| description | The metastable zone width (MSZW) of <i>p</i>-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order <i>m</i> obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechanism at low saturation temperature (<i>m</i> = 3.18–7.50) and an instantaneous nucleation mechanism at high saturation temperature (<i>m</i> = 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>r</mi><mrow><mi>c</mi><mi>r</mi><mi>i</mi><mi>t</mi></mrow></msub></mrow></semantics></math></inline-formula> and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>G</mi><mrow><mi>c</mi><mi>r</mi><mi>i</mi><mi>t</mi></mrow></msub></mrow></semantics></math></inline-formula> 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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| institution | Directory Open Access Journal |
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| last_indexed | 2024-03-09T04:01:31Z |
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| series | Molecules |
| spelling | doaj.art-6ee3fbbccd4c4d10be30793cc37b685f2023-12-03T14:13:17ZengMDPI AGMolecules1420-30492022-06-012713408510.3390/molecules27134085Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone WidthGuangle Wang0Zeren Shang1Mingdi Liu2Weibing Dong3Haichao Li4Haiqing Yin5Junbo Gong6Songgu Wu7State Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, ChinaState Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, ChinaState Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, ChinaSchool of Chemistry and Chemical Engineering, Qinghai Minzu University, Xining 810007, ChinaSchool of Chemistry and Chemical Engineering, Qinghai Minzu University, Xining 810007, ChinaSchool of Chemistry and Chemical Engineering, Qinghai Minzu University, Xining 810007, ChinaState Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, ChinaState Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, ChinaThe metastable zone width (MSZW) of <i>p</i>-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order <i>m</i> obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechanism at low saturation temperature (<i>m</i> = 3.18–7.50) and an instantaneous nucleation mechanism at high saturation temperature (<i>m</i> = 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>r</mi><mrow><mi>c</mi><mi>r</mi><mi>i</mi><mi>t</mi></mrow></msub></mrow></semantics></math></inline-formula> and <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>Δ</mo><msub><mi>G</mi><mrow><mi>c</mi><mi>r</mi><mi>i</mi><mi>t</mi></mrow></msub></mrow></semantics></math></inline-formula> 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.https://www.mdpi.com/1420-3049/27/13/4085<i>p</i>-methoxybenzoic acidMSZWnucleationnucleation kinetic parameter |
| spellingShingle | Guangle Wang Zeren Shang Mingdi Liu Weibing Dong Haichao Li Haiqing Yin Junbo Gong Songgu Wu Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width Molecules <i>p</i>-methoxybenzoic acid MSZW nucleation nucleation kinetic parameter |
| title | Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width |
| title_full | Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width |
| title_fullStr | Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width |
| title_full_unstemmed | Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width |
| title_short | Insight into the Nucleation Mechanism of <i>p</i>-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width |
| title_sort | insight into the nucleation mechanism of i p i methoxybenzoic acid in ethanol water system from metastable zone width |
| topic | <i>p</i>-methoxybenzoic acid MSZW nucleation nucleation kinetic parameter |
| url | https://www.mdpi.com/1420-3049/27/13/4085 |
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