Radiolysis

Nuclear / radiolysis.yaml

12 records

2 sections

species 5 reactions 7

species

Common Name	Iupac Name	Formula	Mw	Charge	Smiles	Inchi Key
Solvated Electron	Electron (aq)	e-(aq)	5.5000e-4	-1	[e-]	—
Hydroxyl Radical	Oxidanyl	.OH	17.007	0	[OH]	HEDRZPFGACZZDS-UHFFFAOYSA-N
Hydrogen Radical	Monohydrogen	H.	1.008	0	[H]	YZCKVEUIGOORGS-UHFFFAOYSA-N
Hydrogen Peroxide	Dihydrogen dioxide	H2O2	34.015	0	OO	MHAJPDPJQMAIIY-UHFFFAOYSA-N
Hydroperoxyl Radical	Hydroperoxyl	HO2.	33.006	0	O[O]	OUUQCZGPVNCOIJ-UHFFFAOYSA-N

reactions

Hydroxyl Recombination

name: Hydroxyl Recombination
description: Formation of Hydrogen Peroxide: .OH + .OH -> H2O2

participants (2)

formula: .OH
coeff: -2

formula: H2O2
coeff: 1

Hydrogen Recombination

name: Hydrogen Recombination
description: Formation of Hydrogen Gas: H. + H. -> H2

participants (2)

formula: H.
coeff: -2

formula: H2
coeff: 1

Water Re-formation

name: Water Re-formation
description: Radical termination: H. + .OH -> H2O

participants (3)

formula: H.
coeff: -1

formula: .OH
coeff: -1

formula: H2O
coeff: 1

Solvated Electron Protonation

name: Solvated Electron Protonation
description: Fast conversion in acidic media: e-(aq) + H+ -> H.

participants (3)

formula: e-(aq)
coeff: -1

formula: H+
coeff: -1

formula: H.
coeff: 1

Hydrogen Peroxide Scavenging

name: Hydrogen Peroxide Scavenging
description: e-(aq) + H2O2 -> .OH + OH-

participants (4)

formula: e-(aq)
coeff: -1

formula: H2O2
coeff: -1

formula: .OH
coeff: 1

formula: HO-
coeff: 1

Hydrogen Scavenging by OH

name: Hydrogen Scavenging by OH
description: Reaction with molecular H2: .OH + H2 -> H2O + H.

participants (4)

formula: .OH
coeff: -1

formula: H2
coeff: -1

formula: H2O
coeff: 1

formula: H.
coeff: 1

Hydroperoxyl Formation

name: Hydroperoxyl Formation
description: Reaction with dissolved Oxygen: H. + O2 -> HO2.

participants (3)

formula: H.
coeff: -1

formula: O2
coeff: -1

formula: HO2.
coeff: 1