{"title":"方法条件和模型解释在火山土壤上纳米材料吸附中的作用。","authors":"Manuel Gacitua , Angelo Neira-Albornoz","doi":"10.1016/j.ecoenv.2025.119075","DOIUrl":null,"url":null,"abstract":"<div><div>Soil adsorption governs the environmental fate of nanomaterials, yet standard procedures often fail to fully capture adsorption behaviour through kinetic and isotherm models. This study proposes a comprehensive framework to enhance the reliability and interpretability of adsorption data by improving both experimental design and model analysis, using the adsorption of Cu₂O nanoparticles from the commercial pesticide NORDOX 75 WG (NOR) in Metrenco soil (Ultisol). Batch adsorption kinetics and isotherm experiments were conducted. NOR stability and supernatant pH were the most influential factors and were used to select a subset of consistent, comparable data. Transport-related parameters (e.g., kinetic rates) were more sensitive to NOR stability than bulk-adsorbent parameters (e.g., adsorption capacity). 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引用次数: 0
摘要
土壤吸附控制着纳米材料的环境命运,然而标准程序往往无法通过动力学和等温线模型完全捕获吸附行为。本研究提出了一个综合框架,通过改进实验设计和模型分析,提高吸附数据的可靠性和可解释性,利用商业农药NORDOX 75 WG (NOR)中Cu₂O纳米颗粒在Metrenco土壤(Ultisol)中的吸附。进行了间歇吸附动力学和等温线实验。NOR稳定性和上清pH值是影响最大的因素,用于选择一致的、可比较的数据子集。转运相关参数(如动力学速率)比体积吸附剂参数(如吸附容量)对NOR稳定性更敏感。我们采用了一种新的验证策略,将传统的拟合优度指标(包括调整后的R2)与模型内假设检验和模型间比较相结合。虽然线性伪二阶模型(PSO)获得了最高的Radj2,但与线性PSO参数得出的解释相比,多个非线性模型的联合分析为非平衡条件和明显的瞬时吸附提供了更有力的证据。这种方法也导致了修正的PSO模型方程的形成,更好地与系统行为相一致,并与其他模型中观察到的趋势相一致。与依赖单一“最佳拟合”模型的典型研究不同,我们的方法可以从较差的拟合模型中获得更深入的机制见解。这解决了文献中广泛但被忽视的问题,并支持更强大的复杂吸附系统建模,以支持环境决策。
The role of methodological conditions and model interpretation in the adsorption of a nanomaterial on a volcanic soil
Soil adsorption governs the environmental fate of nanomaterials, yet standard procedures often fail to fully capture adsorption behaviour through kinetic and isotherm models. This study proposes a comprehensive framework to enhance the reliability and interpretability of adsorption data by improving both experimental design and model analysis, using the adsorption of Cu₂O nanoparticles from the commercial pesticide NORDOX 75 WG (NOR) in Metrenco soil (Ultisol). Batch adsorption kinetics and isotherm experiments were conducted. NOR stability and supernatant pH were the most influential factors and were used to select a subset of consistent, comparable data. Transport-related parameters (e.g., kinetic rates) were more sensitive to NOR stability than bulk-adsorbent parameters (e.g., adsorption capacity). We applied a novel validation strategy combining traditional goodness-of-fit metrics (including adjusted ) with intra-model assumption checking, and inter-model comparison. While the linear Pseudo-Second Order model (PSO) achieved the highest , a combined analysis of multiple nonlinear models provided stronger evidence for non-equilibrium condition and apparent instantaneous adsorption, in contrast to the interpretation derived from linear PSO parameters. This approach also led to the formulation of a modified PSO model equation, better aligned with the system behaviour and consistent with trends observed in other models. Unlike typical studies that rely on a single “best-fitting” model, our method enables deeper mechanistic insights, even from poorly fitting models. This addresses a widespread but overlooked issue in the literature and supports more robust modelling of complex adsorption systems to support environmental decision-making.
期刊介绍:
Ecotoxicology and Environmental Safety is a multi-disciplinary journal that focuses on understanding the exposure and effects of environmental contamination on organisms including human health. The scope of the journal covers three main themes. The topics within these themes, indicated below, include (but are not limited to) the following: Ecotoxicology、Environmental Chemistry、Environmental Safety etc.