• 集群首页
  • 关于我们
  • 期刊群

衰减全反射-傅里叶变换红外光谱定量分析铁氧化物及水铁矿晶相转化探究

Quantitative Analysis of Iron Oxides and Investigation of Ferrihydrite Phase Transformation Using Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

  • 摘要: 水铁矿作为一种亚稳态的弱晶形铁氧化物,会自发向更稳定的铁氧化物转化。探明转化过程中的中间产物及最终产物类型,对理解污染物归趋、营养物质循环等环境地球化学过程具有重要意义。近年来,基于傅里叶变换红外光谱(FTIR)的定量分析方法在铁氧化物研究中获得应用。水铁矿转化过程中会存在多种矿物共存的情况,不同铁氧化物的红外光谱特征可能相互干扰,共存矿物的类型和比例会显著影响特征峰的强度,仅根据二元体系建立的定量模型会导致多元体系下定量分析准确性降低。因此,本研究采用衰减全反射-傅里叶变换红外光谱(ATR-FTIR)技术,通过配制多种比例二元和三元标准矿物混合体系,观察不同铁氧化物的红外吸收光谱特征。结果表明:纤铁矿的特征吸收峰位于748cm−1和1020cm−1,针铁矿的特征吸收峰位于792cm−1和897cm−1处。不同体系中针铁矿的相对含量与特征峰强度均呈现良好线性关系(R2>0.987),但线性回归系数受共存矿物的影响,差异达到14.4%;纤铁矿的相对含量在二元体系中与其特征峰强度呈线性特征,但在三元体系中,二阶多项式提供了更好的拟合效果,说明共存矿物类型直接影响定量模型建立。进一步检测了在厌氧条件下1mmol/L亚铁催化水铁矿转化过程中次生矿物(包括纤铁矿和针铁矿)的相对含量,结果显示在反应初期水铁矿会同时转化成纤铁矿和针铁矿,随后水铁矿完全转化,体系变为纤铁矿和针铁矿的二元体系,最终纤铁矿完全转化为针铁矿。

     

    Abstract: Ferrihydrite, as a metastable poorly crystalline iron oxide, spontaneously transforms into more stable iron oxides. Identifying intermediate and final products during its transformation is significant for understanding environmental geochemical processes such as contaminant fate and nutrient cycling. In recent years, quantitative analysis methods based on Fourier transform infrared (FTIR) spectroscopy have been applied in iron oxide research. During ferrihydrite transformation, coexistence of multiple minerals may cause mutual interference in infrared spectral characteristics; the type and proportion of coexisting minerals significantly affect characteristic peak intensities, leading to reduced accuracy of quantification models established solely on binary systems in multi-mineral systems. Therefore, this study employed total reflection Fourier transform infrared spectroscopy (ATR-FTIR) to observe infrared absorption characteristics by preparing binary and ternary standard mineral mixtures with varying proportions. Results show that characteristic absorption peaks of lepidocrocite are located at 748cm−1 and 1020cm−1, while goethite peaks occur at 792cm−1 and 897cm−1. In different systems, relative content of goethite exhibits strong linear relationships with characteristic peak intensity (R2>0.987), but its linear regression coefficients are affected by coexisting minerals with differences reaching 14.4%. Relative content of lepidocrocite shows linearity with characteristic peak intensity in binary systems, but in ternary systems, a second-order polynomial provides better fitting performance, demonstrating that coexisting mineral types directly affect quantitative model establishment. Further detection of relative contents of secondary minerals (including lepidocrocite and goethite) during anaerobic 1mmol/L Fe(Ⅱ)-catalyzed ferrihydrite transformation reveals that in the initial reaction stage, ferrihydrite simultaneously transforms into lepidocrocite and goethite. Subsequently, ferrihydrite is completely consumed, transforming the system into a binary mixture of lepidocrocite and goethite. Ultimately, lepidocrocite is completely converted to goethite. The BRIEF REPORT is available for this paper at http://www.ykcs.ac.cn/en/article/doi/10.15898/j.ykcs.202504280109.

     

/

返回文章
返回