The Homogeneous Gas-Phase Formation Mechanism of PCNs from Cross-Condensation of Phenoxy Radical with 2-CPR and 3-CPR: A Theoretical Mechanistic and Kinetic Study

The Homogeneous Gas-Phase Formation Mechanism of PCNs from Cross-Condensation of Phenoxy Radical with 2-CPR and 3-CPR: A Theoretical Mechanistic and Kinetic Study

Chlorophenols (CPs) and phenol are abundant in thermal and combustion procedures, such as stack gas production, industrial incinerators, metal reclamation, etc., which are key precursors for the formation of polychlorinated naphthalenes (PCNs). CPs and phenol can react with H or OH radicals to form...

Full description

Bibliographic Details
Main Authors: Zhuochao Teng, Yanan Han, Shuming He, Mohammad Hassan Hadizadeh, Qi Zhang, Xurong Bai, Xiaotong Wang, Yanhui Sun, Fei Xu
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:International Journal of Molecular Sciences
Subjects:
polychlorinated naphthalenes
chlorophenols
formation mechanisms
rate constants
DFT calculations
Online Access:https://www.mdpi.com/1422-0067/23/11/5866

Internet

https://www.mdpi.com/1422-0067/23/11/5866

Similar Items