.png){kind=icon}
返回
Predicting polyacrylate-microplastic interactions with atomistic simulation
.png){kind=icon}
OA
AI
DOI：10.1039/d5cp03631c.png)
.png){kind=icon}
.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
Adhesive-coated substrates have been used to non-selectively capture microplastics (MPs) in water. This work explores whether selective MP capture is plausible by modifying the adhesive structure. To find the degree of selectivity, adhesive strength might be estimated by examining surface interactions between specific adhesives and MPs. Herein, we describe the use of atomistic simulations to predict the aqueous adhesive strength via the aqueous work-of-adhesion (WoA(aq)), a thermodynamic measure of adhesion. Simulation of four common MPs and five different polyacrylate adhesives were conducted. The simulations show that fluorinated sidechains, due to their low interfacial energies and higher surface energies, exhibit increased selectivity toward polystyrene over other plastics. To provide experimental support for these predictions, probe-tack studies of aqueous adhesion were performed and found to agree with the simulations. Simulations also revealed non-intuitive interactions that govern WoA(aq), arising from the complex intra- and intermolecular interactions that occur when polyacrylates interface with water and MPs. This expanded understanding of the microscopic features of adhesion can be used to design next-generation adhesives and MP remediation technology.
Keyword:
SURFACE FREE-ENERGY
DYNAMICS
WATER
PLASTICS
P3HT
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
2.9
论文数:
4.5K
被引数:
12.4W
机构
引用论文
Emergent Surface Topography Enabled by Concurrent Crystallization and Polymerization.png)
MACROMOLECULES
MACROMOLECULESIF5.2
PREAI
分享收藏分享收藏
查看更多内容