Table 3 U-O reaction channels from previously constructed reaction mechanism5 that are included in the 0D model but are not optimized due to a lack of constraining data.
From: Stochastic optimization of a uranium oxide reaction mechanism using plasma flow reactor measurements
No. | Reaction | \(\Delta _r H_{298.15K}\) (kJ/mol) | k | ||
|---|---|---|---|---|---|
A (cm\(^{3(m-1)}\)/s)a | n (–) | \(E_A/R\) (K) | |||
13 | \({\mathrm{UO_2 + O_2}} \rightleftharpoons {\mathrm{UO_3 + O}}\) | − 74.129 | \(1.17 \times 10^{-11}\) | 0.5 | 8915.7 |
14 | \({\mathrm{UO_3}} \rightleftharpoons {\mathrm{UO_2 + O}}\) | 570.083 | \(1.00 \times 10^{+15}\) | 0.0 | 73300.3 |
15 | \({\mathrm{e^- + U}} \rightarrow {\mathrm{U^+ + 2e^-}}\) | 604.421 | \(1.000 \times 10^{-4}\) | − 0.721 | 80587.0 |
16 | \({\mathrm{e^- + UO}} \rightarrow {\mathrm{UO^+ + 2e^-}}\) | 550.956 | \(1.715 \times 10^{-10}\) | 0.634 | 84323.0 |
17 | \({\mathrm{e^- + UO_2}} \rightarrow {\mathrm{UO_2^+ + 2e^-}}\) | 529.925 | \(9.452 \times 10^{-9}\) | 0.256 | 84862.0 |
18 | \({\mathrm{U + O_3}} \rightarrow {\mathrm{UO_2^+ + O + e^-}}\) | − 367.889 | \(7.750 \times 10^{-13}\) | 0.5 | 0.0 |
19 | \({\mathrm{U + O_3}} \rightarrow {\mathrm{UO^+ + O_2 + e^-}}\) | − 93.728 | \(7.750 \times 10^{-13}\) | 0.5 | 0.0 |
20 | \({\mathrm{U^+ + O_2}} \rightleftharpoons {\mathrm{UO^+ + O}}\) | − 313.358 | \(3.978 \times 10^{-10}\) | 0.0 | 0.0 |
21 | \({\mathrm{UO^+ + O_2}} \rightleftharpoons {\mathrm{UO_2^+ + O}}\) | − 274.161 | \(2.477 \times 10^{-10}\) | 0.0 | 0.0 |
22 | \({\mathrm{UO_2^- + O_2}} \rightleftharpoons {\mathrm{UO_3^- + O}}\) | − 182.126 | \(1.481 \times 10^{-10}\) | 0.0 | 0.0 |
23 | \({\mathrm{UO + O^-}} \rightleftharpoons {\mathrm{UO_2^-}}\) | − 699.408 | \(3.037 \times 10^{-9}\) | 0.0 | 0.0 |
\(1.379 \times 10^{-8}\) | − 0.5 | 0.0 | |||
24 | \({\mathrm{UO + O_2^-}} \rightleftharpoons {\mathrm{UO_2^- + O}}\) | − 300.364 | \(1.105 \times 10^{-9}\) | 0.0 | 0.0 |
\(5.016 \times 10^{-9}\) | − 0.5 | 0.0 | |||
25 | \({\mathrm{UO + O_3^-}} \rightleftharpoons {\mathrm{UO_2^- + O_2}}\) | − 530.513 | \(9.272 \times 10^{-10}\) | 0.0 | 0.0 |
\(4.209 \times 10^{-9}\) | − 0.5 | 0.0 | |||
26 | \({\mathrm{UO_2 + O^-}} \rightleftharpoons {\mathrm{UO_3^-}}\) | − 628.404 | \(3.056 \times 10^{-9}\) | 0.0 | 0.0 |
27 | \({\mathrm{UO_2 + O_2^-}} \rightleftharpoons {\mathrm{UO_3^- + O}}\) | − 229.360 | \(1.110 \times 10^{-9}\) | 0.0 | 0.0 |
28 | \({\mathrm{UO_2 + O_3^-}} \rightleftharpoons {\mathrm{UO_3^- + O_2}}\) | − 459.509 | \(9.302 \times 10^{-10}\) | 0.0 | 0.0 |
29b | \({\textrm{UO}}^+_x{\mathrm{+ e^- + e^-}} \rightarrow {\textrm{UO}}_x{\mathrm{+ e^-}}\) | N/A\(^{{\textrm{c}}}\) | \(9.821 \times 10^{-9}\) | − 9/2 | 0.0 |
30b | \({\textrm{UO}}^+_x{\mathrm{+ e^- + M}} \rightarrow {\textrm{UO}}_x{\mathrm{+ M}}\) | N/A\(^{{\textrm{c}}}\) | \(3.118 \times 10^{-23}\) | − 3/2 | 0.0 |
