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Self-stratifying behavior of a novel light-curable coating with gradient hydrophobic properties: Computational and experimental study
Progress in Organic Coatings ( IF 6.6 ) Pub Date : 2021-07-20 , DOI: 10.1016/j.porgcoat.2021.106435
Sahar Abdollahi Baghban 1 , Morteza Ebrahimi 1 , Manouchehr Khorasani 1 , Shadab Bagheri-Khoulenjani 1
Affiliation  

In this study, we report a rational approach to design a novel VOC-free self-stratifying light-curable coating containing bio-renewable materials based on the methacrylated gelatin (GelMA) and acrylated epoxidized soybean oil diluted by the acrylated glycidyl neodecanoate (AESO-CE). The self-stratified structures of the AESO-CE/GelMA coatings attained through the visible light curing were recognized by SEM-EDX and water contact angle (WCA) analyses. Hildebrand (δHild) and Hansen solubility parameters (δHans) of AESO-CE and GelMA were calculated by molecular dynamics simulation and Hansen solubility spheres, respectively. It was revealed that the computational immiscibility results had an illustrative agreement with the experimental incompatibility observations in different AESO-CE/GelMA weight ratios over time. Furthermore, the findings demonstrated that surface tension and solubility parameters can be considered when dealing with self-stratification prediction in the gelatin-soybean oil-based coatings. The results indicated that the coatings with both hydrophobic-hydrophilic natures with WCA of 66–84° can be achieved by a fast curing reaction without the aid of solvent evaporation. Besides, it was concluded that the stratifying level and surface hydrophobicity properties have been significantly affected by the AESO-CE/GelMA weight ratio and the mixture viscosity. Accordingly, this investigation provides a helpful insight to develop a green coating exhibiting gradient hydrophobic behavior, as a promising candidate for advanced breathable food and bio-applications.



中文翻译:

具有梯度疏水特性的新型光固化涂层的自分层行为:计算和实验研究

在这项研究中,我们报告了一种合理的方法来设计一种新型的无 VOC 自分层光固化涂料,该涂料含有基于甲基丙烯酸化明胶 (GelMA) 和丙烯酸化环氧化大豆油的生物可再生材料,并通过丙烯酸化缩水甘油酯新癸酸酯 (AESO-行政长官)。通过可见光固化获得的 AESO-CE/GelMA 涂层的自分层结构被 SEM-EDX 和水接触角 (WCA) 分析所识别。Hildebrand (δ Hild ) 和 Hansen 溶解度参数 (δ Hans) 的 AESO-CE 和 GelMA 分别通过分子动力学模拟和 Hansen 溶解度球计算。结果表明,随着时间的推移,不同 AESO-CE/GelMA 重量比的计算不相容性结果与实验不相容性观察结果具有说明性一致。此外,研究结果表明,在处理基于明胶 - 大豆油的涂层中的自分层预测时,可以考虑表面张力和溶解度参数。结果表明,在没有溶剂蒸发的情况下,通过快速固化反应可以实现具有 66-84°WCA 的疏水-亲水性涂层。除了,得出的结论是,AESO-CE/GelMA 重量比和混合物粘度显着影响了分层水平和表面疏水性。因此,这项研究为开发具有梯度疏水行为的绿色涂层提供了有益的见解,作为高级透气食品和生物应用的有希望的候选者。

更新日期:2021-07-20
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