XANES/EXAFS and quantum chemical study of the speciation of arsenic in the condensate formed in landfill gas processing: Evidence of the dominance of As-S species

Po An Chen, H. Paul Wang, Andrey M. Kuznetsov, Alexei N. Masliy, Siqi Liu, Chao Lung Chiang, Gregory V. Korshin

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Abstract

The XANES/EXAFS data and quantum chemical simulations presented in this study demonstrate several features of the chemistry of arsenic compounds found in the condensates and solids generated in landfill gas (LFG) processing carried out for renewable natural gas (RNG) production. The XANES data show the decrease in the position of the absorption edge of As atoms, similar to that characteristic for sulfur-containing As solutes and solids. The EXAFS data show that the As-O and As-S distances in these matrixes are similar to those in thioarsenates. Quantum-chemical calculations demonstrated the close agreement between the experimental and modeled As-S and As-O distances determined for a range of methylated and thiolated arsenic solutes. These calculations also showed that the increase of the number of the As-S bonds in the coordination shell of arsenic is accompanied by a consistent decrease of the charges of As atoms. This decrease is correlated with the number of the As-S bonds, in agreement with the trend observed in the XANES data. These results provide insight into the intrinsic chemistry and reactivity of As species present in LFG matrixes; they may be helpful for the development of treatment methods to control arsenic in these systems.

Original languageEnglish
Article number130522
JournalJournal of Hazardous Materials
Volume445
DOIs
Publication statusPublished - 2023 Mar 5

All Science Journal Classification (ASJC) codes

  • Environmental Engineering
  • Environmental Chemistry
  • Waste Management and Disposal
  • Pollution
  • Health, Toxicology and Mutagenesis

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