Title of article
DFT Method Estimation of Standard Redox Potential of Metals
Author/Authors
Kobayashi، Hisayoshi نويسنده , , Kudo، Akihiko نويسنده , , Miura، Toshiko نويسنده , , Shimodaira، Yoshiki نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
-1175
From page
1176
To page
0
Abstract
The DFT method calculation was carried out to evaluate standard redox potential for metal/metal cation systems. With the Born–Haber cycle, standard redox potential is composed of the cohesive energy, ionization energy, and hydration energy. Utilizing experimental values of the cohesive energy of metals, the root-mean-square deviation of calculated and experimental values was 0.29 V for 17 ions.
Keywords
prediction , grinding , Power requirement , Surface finish , Genetic-fuzzy system , Application-production research
Journal title
CHEMISTRY LETTERS
Serial Year
2004
Journal title
CHEMISTRY LETTERS
Record number
28748
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