用分子力学模拟评价鼠李糖脂和Triton X-100表面活性剂对镉萃取的影响

IF 3.1 3区 化学 Q3 CHEMISTRY, PHYSICAL
Francisco Vidal Caballero , Luis Vicente
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引用次数: 0

摘要

对生物表面活性剂鼠李糖脂和合成的非离子表面活性剂Triton X-100进行了分子动力学模拟,以评估它们从硫酸镉水溶液中去除镉(Cd)的能力。我们观察到随着Cd含量的增加,胶束的形状和大小发生了变化,向一个长椭球形状移动。生物表面活性剂对金属的吸附比(R =吸附离子/胶束表面积)高于合成表面活性剂,Triton X-100的吸附比(R = 0.26)低于鼠李糖脂(R = 0.50),表明生物表面活性剂对镉的去除效率更高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Evaluation of rhamnolipid and Triton X-100 surfactants on the extraction of Cd by molecular mechanics simulation

Evaluation of rhamnolipid and Triton X-100 surfactants on the extraction of Cd by molecular mechanics simulation
Molecular Dynamics simulations of the biosurfactant rhamnolipid and the synthetic nonionic surfactant Triton X-100 were performed to evaluate their ability to remove cadmium (Cd) from an aqueous cadmium sulfate solution. We observed changes in the shape and size of the micelles with increasing Cd content, shifting towards a prolate ellipsoid shape. The biosurfactant exhibited a higher capacity for metal extraction than the synthetic surfactant, as indicated by the adsorption ratio (R = adsorbed ions/micelle surface area), which was lower for Triton X-100 (R = 0.26) compared to rhamnolipid (R = 0.50) suggesting more efficient Cd removal.
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来源期刊
Chemical Physics Letters
Chemical Physics Letters 化学-物理:原子、分子和化学物理
CiteScore
5.70
自引率
3.60%
发文量
798
审稿时长
33 days
期刊介绍: Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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