ABSTRACT

In this study, the washed-combed wool fiber and the washed-combed-dyed wool fiber were used to investigate pollutant gas sorption capacity of wool fibers. Sulfur dioxide (SO₂) was selected as the pollutant gas since it is one of the mostly found pollutants in air content. The wool fiber samples were tested with gaseous pollutant for different time periods and gas adsorption values were measured. Furthermore, SO₂ adsorption was studied theoretically by density functional theory (DFT) calculations with B3LYP 6–31 G (d,p)/method on amino acids were found to be in good agreement with experimental data.

中文翻译：

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SO2 在羊毛纤维上的吸附：一项实验和 DFT 研究

摘要

在这项研究中，水洗精梳羊毛纤维和水洗精梳染色羊毛纤维被用来研究羊毛纤维对污染物气体的吸附能力。二氧化硫（SO ₂）被选为污染气体，因为它是空气中最常见的污染物之一。对羊毛纤维样品进行不同时间段的气态污染物测试，并测量气体吸附值。此外，通过密度泛函理论 (DFT) 计算对 SO ₂的吸附进行了理论上的研究，使用 B3LYP 6-31 G (d,p)/氨基酸方法发现与实验数据非常吻合。