Zhang Zhexuan , Zhou Yang , Li Runfeng , Zhan Huasheng , Zihua Zhang , Yuanhao Zhao , Li Shibo , Huang Zhenying
{"title":"水性纳米 CaCO3/ 聚乙烯涂层的光学和机械性能：实验、DFT 和波光学研究","authors":"Zhang Zhexuan , Zhou Yang , Li Runfeng , Zhan Huasheng , Zihua Zhang , Yuanhao Zhao , Li Shibo , Huang Zhenying","doi":"10.1016/j.optmat.2024.116377","DOIUrl":null,"url":null,"abstract":"<div><div>This study analyzed the impact of nano-CaCO<sub>3</sub> content on the optical and mechanical properties of waterborne nano-CaCO<sub>3</sub>/polyethylene coatings. The results showed a marginal reduction in lightness (<em>L</em>∗) and contrast ratio alongside incremental nano-CaCO<sub>3</sub> content, but substantial increases in scrubbing resistance and stain resistance were observed. Nano-CaCO<sub>3</sub> enhances shear resistance through intermolecular interactions. It revealed the interface interaction energy of the nano-CaCO<sub>3</sub>/polyethylene model at 11.90 kJ/mol. Measured and calculated optical properties confirmed a decrease in <em>L</em>∗ and contrast ratio when TiO<sub>2</sub> was replaced by nano-CaCO<sub>3</sub>. Optical properties were predicted using DFT, and response and impedance matching with varying nano-CaCO<sub>3</sub> content were assessed using the wave optics model.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"157 ","pages":"Article 116377"},"PeriodicalIF":3.8000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Optical and mechanical properties of waterborne nano-CaCO3/polyethylene coatings: Experimental, DFT, and wave optics investigation\",\"authors\":\"Zhang Zhexuan , Zhou Yang , Li Runfeng , Zhan Huasheng , Zihua Zhang , Yuanhao Zhao , Li Shibo , Huang Zhenying\",\"doi\":\"10.1016/j.optmat.2024.116377\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study analyzed the impact of nano-CaCO<sub>3</sub> content on the optical and mechanical properties of waterborne nano-CaCO<sub>3</sub>/polyethylene coatings. The results showed a marginal reduction in lightness (<em>L</em>∗) and contrast ratio alongside incremental nano-CaCO<sub>3</sub> content, but substantial increases in scrubbing resistance and stain resistance were observed. Nano-CaCO<sub>3</sub> enhances shear resistance through intermolecular interactions. It revealed the interface interaction energy of the nano-CaCO<sub>3</sub>/polyethylene model at 11.90 kJ/mol. Measured and calculated optical properties confirmed a decrease in <em>L</em>∗ and contrast ratio when TiO<sub>2</sub> was replaced by nano-CaCO<sub>3</sub>. Optical properties were predicted using DFT, and response and impedance matching with varying nano-CaCO<sub>3</sub> content were assessed using the wave optics model.</div></div>\",\"PeriodicalId\":19564,\"journal\":{\"name\":\"Optical Materials\",\"volume\":\"157 \",\"pages\":\"Article 116377\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Optical Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S092534672401560X\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Optical Materials","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S092534672401560X","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Optical and mechanical properties of waterborne nano-CaCO3/polyethylene coatings: Experimental, DFT, and wave optics investigation
This study analyzed the impact of nano-CaCO3 content on the optical and mechanical properties of waterborne nano-CaCO3/polyethylene coatings. The results showed a marginal reduction in lightness (L∗) and contrast ratio alongside incremental nano-CaCO3 content, but substantial increases in scrubbing resistance and stain resistance were observed. Nano-CaCO3 enhances shear resistance through intermolecular interactions. It revealed the interface interaction energy of the nano-CaCO3/polyethylene model at 11.90 kJ/mol. Measured and calculated optical properties confirmed a decrease in L∗ and contrast ratio when TiO2 was replaced by nano-CaCO3. Optical properties were predicted using DFT, and response and impedance matching with varying nano-CaCO3 content were assessed using the wave optics model.
期刊介绍：
Optical Materials has an open access mirror journal Optical Materials: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
The purpose of Optical Materials is to provide a means of communication and technology transfer between researchers who are interested in materials for potential device applications. The journal publishes original papers and review articles on the design, synthesis, characterisation and applications of optical materials.
OPTICAL MATERIALS focuses on:
• Optical Properties of Material Systems;
• The Materials Aspects of Optical Phenomena;
• The Materials Aspects of Devices and Applications.
Authors can submit separate research elements describing their data to Data in Brief and methods to Methods X.
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