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
學年 111
學期 2
出版（發表）日期 2023-03-05
作品名稱 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
作品名稱（其他語言）
著者 Po-An Chen, H Paul Wang, Andrey M Kuznetsov, Alexei N Masliy, Siqi Liu, Chao-Lung Chiang, Gregory V Korshin
單位
出版者
著錄名稱、卷期、頁數 Journal of Hazardous Materials, 445, 130522
摘要 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.
關鍵字
語言 en
ISSN
期刊性質 國外
收錄於 SCI SSCI Scopus
產學合作
通訊作者 Po-An Chen, Gregory V Korshin
審稿制度 1
國別 NLD
公開徵稿
出版型式 ,電子版
SDGS 永續城市與社區,陸域生命,夥伴關係,潔淨水與衛生