Application of infrared spectroscopy and its theoretical simulation to arsenic adsorption processes

Hadiya Ablat,Xamsiya Nurmamat,Xiaoyan Ma,Qingqing Xie,Zhixi Zhao

Published 2023 in Water environment research

ABSTRACT

Accurate detection and analysis of arsenic pollutants are an important means to enhance the ability to manage arsenic pollution. Infrared (IR) spectroscopy technology has the advantages of fast analysis speed, high resolution, and high sensitivity and can be monitored by real‐time in situ analysis. This paper reviews the application of IR spectroscopy in the qualitative and quantitative analysis of inorganic and organic arsenic acid adsorbed by major minerals such as ferrihydrite (FH), hematite, goethite, and titanium dioxide. The IR spectroscopy technique cannot only identify different arsenic contaminants but also obtain the content and adsorption rate of arsenic contaminants in the solid phase. The reaction equilibrium constants and the degree of reaction conversion can be determined by constructing adsorption isotherms or combining them with modeling techniques. Theoretical calculations of IR spectra of mineral adsorbed arsenic pollutant systems based on density functional theory (DFT) and analysis and comparison of the measured and theoretically calculated characteristic peaks of IR spectra can reveal the microscopic mechanism and surface chemical morphology of the arsenic adsorption process. This paper systematically summarizes the qualitative and quantitative studies and theoretical calculations of IR spectroscopy in inorganic and organic arsenic pollutant adsorption systems, which provides new insights for accurate detection and analysis of arsenic pollutants and arsenic pollution control.

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