Gaillard J F, Webb S M, Quintana J P
Northwestern University, Department of Civil Engineering, Evanston, Illinois 6028-3109, USA.
J Synchrotron Radiat. 2001 Mar 1;8(Pt 2):928-30. doi: 10.1107/s0909049500020963.
We present a method for determining the chemical speciation of metals in environmental particles based on Quick-X-ray Absorption Spectroscopy. The approach can be applied to either the extended or the near edge fine structure, and consists in the decomposition of the XAS spectrum of an unknown sample on a reference set of standards' spectra using quadratic linear programming. The analysis accounts for the statistical experimental errors generated during the acquisition of X-ray absorption data, and leads to error estimates on the various fractions determined via a Monte Carlo procedure. An application example is presented for the speciation of inorganic Zn in a contaminated sediment sample.
我们提出了一种基于快速X射线吸收光谱法测定环境颗粒中金属化学形态的方法。该方法可应用于扩展精细结构或近边精细结构，其原理是使用二次线性规划，将未知样品的X射线吸收光谱分解为一组标准光谱。该分析考虑了X射线吸收数据采集过程中产生的统计实验误差，并通过蒙特卡罗程序对所确定的各种组分进行误差估计。文中给出了一个受污染沉积物样品中无机锌形态分析的应用实例。
