Research Article

Theoretical Study on Solubility from Pt Electrocatalyst and Reactivity in Electrolyte Environment of Pt Complex in PEFC

Table 8

Reaction energy ( Δ 𝐸 ) for Pt(II) complexes with various dielectric constants. Unit is kJ/mol.

5.020.0 61.0

Proton addition reaction
 ( 𝟐 ) [Pt(H2O)3(OH)]+ + H3O+ → ( 𝟏 ) [Pt(H2O)4]2+ + H2O 29.3 −21.8 −29.3
 ( 𝟑 ) [Pt(H2O)2(OH)2] + H3O+ → ( 𝟐 ) [Pt(H2O)3(OH)]+ + H2O −123.0 −92.9 −90.4
 ( 𝟒 ) [Pt(H2O)(OH)3] + H3O+ → ( 𝟑 ) [Pt(H2O)2(OH)2] + H2O −296.3 −179.5 −147.3
 ( 𝟓 ) [Pt(OH)4]2− + H3O+ → ( 𝟒 ) [Pt(H2O)(OH)3] + H2O −426.5 −221.4 −181.2
 ( 𝟖 ) [Pt(H2O)2(OH)(CF3SO3)] + H3O+ → ( 𝟔 ) [Pt(H2O)3(CF3SO3)]+ + H2O −82.4 −50.2 −59.4
H2O/ C F 3 S O 3 substitution reaction
 ( 𝟏 ) [Pt(H2O)4]2+ + C F 3 S O 3 → ( 𝟔 ) [Pt(H2O)3(CF3SO3)]+ + H2O −209.3 −59.0 −33.1
 ( 𝟔 ) [Pt(H2O)3(CF3SO3)]+ + C F 3 S O 3 → ( 𝟕 ) [Pt(H2O)2(CF3SO3)2] + H2O −119.7 −33.9 −5.9
 ( 𝟐 ) [Pt(H2O)3(OH)]+ + C F 3 S O 3 → ( 𝟖 ) [Pt(H2O)2(OH)(CF3SO3)] + H2O −97.5 −30.6 −2.9
OH / C F 3 S O 3 substitution reaction
 ( 𝟐 ) [Pt(H2O)3(OH)]+ + C F 3 S O 3 → ( 𝟔 ) [Pt(H2O)3(CF3SO3)]+ + OH324.3 277.0 259.9
 ( 𝟑 ) [Pt(H2O)2(OH)2] + C F 3 S O 3 → ( 𝟖 ) [Pt(H2O)2(OH)(CF3SO3)] + OH284.2 234.8 228.9
 ( 𝟖 ) [Pt(H2O)2(OH)(CF3SO3)] + C F 3 S O 3 → ( 𝟕 ) [Pt(H2O)2(CF3SO3)2] + OH302.2 274.1 269.1