An article Theoretical study on the reaction of anthracene with sulfate radical and hydroxyl radical in aqueous solution WOS:000487178000063 published article about POLYCYCLIC AROMATIC-HYDROCARBONS; GAS-PHASE REACTIONS; ADVANCED OXIDATION; PHOTOINDUCED TOXICITY; WATER-TREATMENT; RATE CONSTANTS; OH RADICALS; DEGRADATION; PERSULFATE; PHENANTHRENE in [Liu, Wen; Lv, Guochun; Sun, Xiaomin] Shandong Univ, Environm Res Inst, Jinan 250100, Shandong, Peoples R China; [He, Lin] Leibniz Inst Tropospher Res TROPOS, ACD, D-04318 Leipzig, Germany; [Zhang, Chenxi] Binzhou Univ, Coll Biol & Environm Engn, Binzhou 256600, Peoples R China; [Li, Zhiqiang] Shandong Univ, CORE, Qingdao 266237, Shandong, Peoples R China in 2019, Cited 48. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8. Safety of Anthrone
Sulfate radical (SO4 center dot(-)) and hydroxyl radical (center dot OH) generated from persulfate or peroxymonosulfate in AOPs have been widely used in contaminant degradation. Anthracene (ANT) can be decomposed by SO4 center dot(-) and center dot OH. The processes of ANT decomposition were investigated using theoretical calculations in this paper. The initiation reactions of ANT, anthrone, anthraquinone (ATQ) and 1-hydroxylanthraquinone (1-hATQ) by two radicals are studied. The highest free energy barriers of initiation reactions are 22.30 kcal mol(-1) in ATQ + SO4 center dot(-) reaction and 6.84 kcal mol(-1) in ATQ + center dot OH reaction. Comparing the rate constants of initiation reaction through the two radicals at 273-373 K, it can be concluded that SO4 center dot(-) and center dot OH both play important roles on the initiation of ANT and anthrone at lower pH. For ATQ and 1-hATQ, center dot OH is more important than SO4 center dot(-) in the initiation process, which indicates that the indirect influence of SO4 center dot(-) are more significant in the degradation processes of ATQ and 1-hATQ. This study provides theoretical confirmations for the mechanisms of reactions of ANT with SO4 center dot(-) and center dot OH, and evaluates the importance of SO4 center dot(-) and center dot OH according to the reaction rates. The work can give more insight into the degradation of PAHs by radicals.
Safety of Anthrone. About Anthrone, If you have any questions, you can contact Liu, W; Lv, GC; Sun, XM; He, L; Zhang, CX; Li, ZQ or concate me.
Reference:
Thiomorpholine – Wikipedia,
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