Influence of water on the homogeneous gas-phase formation mechanism of polyhalogenated dioxins/furans from chlorinated/brominated phenols as precursors
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- 作者：Xiangli Shia ; Ruiming Zhanga ; Haijun Zhangb ; Fei Xua ; Qingzhu Zhanga ; zqz@sdu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Wenxing Wanga
- 关键词：Halogenated dioxins/furans ; CPs ; BPs ; Formation mechanism ; Water molecule ; Catalysis
- 刊名：Chemosphere
- 出版年：2015
- 出版时间：October 2015
- 年：2015
- 卷：137
- 期：Complete
- 页码：142-148
- 全文大小：821 K
文摘
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Influences of water on gas-phase formations of PHDD/Fs were revealed for the first time by lowering barriers.
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Water plays a catalytic effect on the formation of HPRs and the H-shift step.
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New lower-energy pathways were found in the H abstraction reactions of HPs.
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The energy profile in the presence/absence of water was constructed and compared.