数字农科院2.0

A new consistent modeling framework for the competitive adsorption of humic nanoparticles and oxyanions to metal (hydr)oxides: Multiple modes of heterogeneity, fractionation, and conformational change

文献类型： 外文期刊

作者： Xu Y.;Bai Y.;Hiemstra T.;Weng L.

作者机构：

关键词： Affinity distribution;Conformational change;Electrostatic potential;Fractionation;Heterogeneity;LCD model;Nanoparticles;Size exclusion chromatography;Spatial distribution

期刊名称： Journal of Colloid and Interface Science

ISSN： 0021-9797

年卷期： 2024 年 660 卷

页码：

收录情况： SCIE（2024版） ; ; EI（2024版）

摘要： Hypothesis: The competitive interaction of oxyanions and humic nanoparticles (HNPs) with metal (hydr)oxide surfaces can be used to trace the ligand and charge distribution of adsorbed HNPs in relation to heterogeneity, fractionation, and conformational change. Experiments: Batch adsorption experiments of HNPs on goethite were performed in the absence and presence of phosphate. The size of HNPs was measured with size exclusion chromatography. The Ligand and Charge Distribution (LCD) model framework was further developed to describe the simultaneous interaction of HNPs and phosphate with goethite. Findings: Preferential adsorption decreases the mean molar mass of adsorbed HNPs, independent of the phosphate presence, showing a linear dependency on the adsorbed HNPs fraction. Phosphate ion can be used as a probe to trace the distribution of functional groups and the variation in affinity of HNPs. The spatial distribution of adsorbed HNPs is driven by the potential gradients in the electrical double layer, which changes the conformation of the adsorbed HNPs. At the particle level, the adsorption of heterogeneous HNPs has an affinity distribution, which can be explained by the variation in molar mass (kDa) and density of the functional groups (mol kg−1) of the HNPs. The presented model can simultaneously describe the competitive adsorption of HNPs and phosphate in a consistent manner. © 2024 The Author(s)

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