Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity
Abstract Gypsum (CaSO4·2H2O) plays a critical role in numerous natural and industrial processes. Nevertheless, the underlying mechanisms governing the formation of gypsum crystals on surfaces with diverse chemical properties remain poorly understood due to a lack of sufficient temporal-spatial resol...
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Nature Portfolio
2025-01-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-55993-w |
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| author | Yan-Fang Guan Xiang-Yu Hong Vasiliki Karanikola Zhangxin Wang Weiyi Pan Heng-An Wu Feng-Chao Wang Han-Qing Yu Menachem Elimelech |
| author_facet | Yan-Fang Guan Xiang-Yu Hong Vasiliki Karanikola Zhangxin Wang Weiyi Pan Heng-An Wu Feng-Chao Wang Han-Qing Yu Menachem Elimelech |
| author_sort | Yan-Fang Guan |
| collection | DOAJ |
| description | Abstract Gypsum (CaSO4·2H2O) plays a critical role in numerous natural and industrial processes. Nevertheless, the underlying mechanisms governing the formation of gypsum crystals on surfaces with diverse chemical properties remain poorly understood due to a lack of sufficient temporal-spatial resolution. Herein, we use in situ microscopy to investigate the real-time gypsum nucleation on self-assembled monolayers (SAMs) terminated with −CH3, −hybrid (a combination of NH2 and COOH), −COOH, −SO3, −NH3, and −OH functional groups. We report that the rate of gypsum formation is regulated by the surface functional groups and hydrophobicity, in the order of −CH3 > −hybrid > −COOH > −SO3 ≈ − NH3 > − OH. Results based on classical nucleation theory and molecular dynamics simulations reveal that nucleation pathways for hydrophilic surfaces involve surface-induced nucleation, with ion adsorption sites (i.e., functional groups) serving as anchors to facilitate the growth of vertically oriented clusters. Conversely, hydrophobic surfaces involve bulk nucleation with ions near the surface that coalesce into larger horizontal clusters. These findings provide new insights into the spatial and temporal characteristics of gypsum formation on various surfaces and highlight the significance of surface functional groups and hydrophobicity in governing gypsum formation mechanisms, while also acknowledging the possibility of alternative nucleation pathways due to the limitations of experimental techniques. |
| format | Article |
| id | doaj-art-437f04bc06a345d7a9d6520dfbe0c6be |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-437f04bc06a345d7a9d6520dfbe0c6be2025-01-19T12:30:00ZengNature PortfolioNature Communications2041-17232025-01-0116111210.1038/s41467-025-55993-wGypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicityYan-Fang Guan0Xiang-Yu Hong1Vasiliki Karanikola2Zhangxin Wang3Weiyi Pan4Heng-An Wu5Feng-Chao Wang6Han-Qing Yu7Menachem Elimelech8CAS Key Laboratory of Urban Pollutant Conversion, Department of Environmental Engineering, University of Science & Technology of ChinaCAS Key Laboratory of Mechanical Behavior and Design of Materials, Department of Modern Mechanics, University of Science and Technology of ChinaDepartment of Chemical and Environmental Engineering, University of ArizonaInstitute of Environmental and Ecological Engineering, Guangdong University of Technology, GuangzhouDepartment of Civil and Environmental Engineering, Rice UniversityCAS Key Laboratory of Mechanical Behavior and Design of Materials, Department of Modern Mechanics, University of Science and Technology of ChinaCAS Key Laboratory of Mechanical Behavior and Design of Materials, Department of Modern Mechanics, University of Science and Technology of ChinaCAS Key Laboratory of Urban Pollutant Conversion, Department of Environmental Engineering, University of Science & Technology of ChinaDepartment of Civil and Environmental Engineering, Rice UniversityAbstract Gypsum (CaSO4·2H2O) plays a critical role in numerous natural and industrial processes. Nevertheless, the underlying mechanisms governing the formation of gypsum crystals on surfaces with diverse chemical properties remain poorly understood due to a lack of sufficient temporal-spatial resolution. Herein, we use in situ microscopy to investigate the real-time gypsum nucleation on self-assembled monolayers (SAMs) terminated with −CH3, −hybrid (a combination of NH2 and COOH), −COOH, −SO3, −NH3, and −OH functional groups. We report that the rate of gypsum formation is regulated by the surface functional groups and hydrophobicity, in the order of −CH3 > −hybrid > −COOH > −SO3 ≈ − NH3 > − OH. Results based on classical nucleation theory and molecular dynamics simulations reveal that nucleation pathways for hydrophilic surfaces involve surface-induced nucleation, with ion adsorption sites (i.e., functional groups) serving as anchors to facilitate the growth of vertically oriented clusters. Conversely, hydrophobic surfaces involve bulk nucleation with ions near the surface that coalesce into larger horizontal clusters. These findings provide new insights into the spatial and temporal characteristics of gypsum formation on various surfaces and highlight the significance of surface functional groups and hydrophobicity in governing gypsum formation mechanisms, while also acknowledging the possibility of alternative nucleation pathways due to the limitations of experimental techniques.https://doi.org/10.1038/s41467-025-55993-w |
| spellingShingle | Yan-Fang Guan Xiang-Yu Hong Vasiliki Karanikola Zhangxin Wang Weiyi Pan Heng-An Wu Feng-Chao Wang Han-Qing Yu Menachem Elimelech Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity Nature Communications |
| title | Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| title_full | Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| title_fullStr | Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| title_full_unstemmed | Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| title_short | Gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| title_sort | gypsum heterogenous nucleation pathways regulated by surface functional groups and hydrophobicity |
| url | https://doi.org/10.1038/s41467-025-55993-w |
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