Theoretical investigation on the selective hydroxyl radical-induced decolorization of methylene-blue-dyed polymer films

HIGHLIGHTS

• who: Pasika Temeeprasertkij and colleagues from the Graduate School of Science and Technology, Tokai University, Kanagawa, Japan have published the research: Theoretical Investigation on the Selective Hydroxyl Radical-Induced Decolorization of Methylene-Blue-Dyed Polymer Films, in the Journal: Computation 2022, 10, 169. of 21/09/2022
• what: In this work to elucidate the reason for the selective decolorization induced by the OH radical compared with other AOSs such as ozone (O3 ) and hydrogen peroxide (H2 O2 ) density-functional-theory calculations were performed at the B3LYP/6-31G(d) level for these AOSs and MB . . .
  

   

  

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