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Updated: Jun 29, 2026

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通过分子动态模拟,了解ibuprofen在聚乙烯微塑料上的吸附情况

Muhammad Ikhwan Nizam¹, Nurfarwizah Adzuan Hafiz¹, Mohamed Syazwan Osman¹

¹EMZI-UiTM Nanoparticles Colloids & Interface Industrial Research Laboratory (NANO-CORE), Faculty of Chemical Engineering, Universiti Teknologi MARA, Cawangan Pulau Pinang, Permatang Pauh, 13500, Pulau Pinang, Malaysia.

Journal of environmental management

|June 5, 2025

概括

这项研究揭示了聚乙烯微塑料 (MP) 如何在水中吸附制药污染物ibuprofen (IB). 范德瓦尔斯力驱动这种相互作用,对于理解水中环境中的共存污染物至关重要.

科学领域:

环境科学环境科学
环境化学环境化学
材料科学材料科学材料科学

背景情况:

微塑料 (MP) 和制药污染物是水生生态系统中普遍存在的污染物.
人们还没有完全理解MP和制药之间的吸附机制,这阻碍了环境风险评估.
研究这些相互作用对于评估共存污染物的影响至关重要.

研究的目的:

调查水生环境中ibuprofen (IB) 在聚乙烯 (PE) MPs上吸附的情况.
阐明调控吸附过程的分子相互作用.
为共存的MP和制药污染物的环境行为提供见解.

主要方法:

利用分子动力学模拟 (MDS) 来模拟分子层面的相互作用.
进行了批量吸附实验,以量化吸附能力和动力学.
应用异热和运动模型 (Temkin,Elovich) 来分析实验数据.

主要成果:

确定IB对PEMP的吸附能力为0.4139毫克/克.
吸附遵循了特姆金和埃洛维奇模型,表明在不均的表面上存在复杂的多层吸附机制.
MDS模拟确定了范德瓦尔斯力作为IB和PEMP之间的主导的非债券相互作用.

结论:

聚乙烯微塑料在水生环境中有效吸附布洛芬.
范德瓦尔斯力在微塑料和制药污染物之间的相互作用中发挥着关键作用.
这项研究提高了对共同污染物的环境命运和影响的理解.

关键词:

水域污染水域污染同时存在的污染物.微塑料是一种微塑料.分子动力学模拟模型制药公司制药公司

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