Table 2 Representative elementary reactions of POM (\(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\)) in the SCWG process obtained by ReaxFF simulations at T = 1500 K.
From: Molecular insights into supercritical water gasification process of polyoxymethylene plastics
Nr. | Reactions |
|---|---|
1 | \(\hbox {C}_{18}\hbox {H}_{38}\hbox {O}_{18}+ \hbox {C}_{22}\hbox {H}_{45}\hbox {O}_{22}^{\cdot }\rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}+\hbox {H}^{\cdot }\) |
2 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40} + \hbox {CH}_{3}\hbox {O}^{\cdot }\rightarrow \hbox {CH}_{4}\hbox {O}+ \hbox {C}_{40}\hbox {H}_{81}\hbox {O}_{40}^{\cdot }\) |
3 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40} +\hbox {H}^{\cdot }\rightarrow \hbox {C}_{16}\hbox {H}_{34}\hbox {O}_{16}+ \hbox {C}_{24}\hbox {H}_{49}\hbox {O}_{24}^{\cdot }\) |
4 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40} + \hbox {H}^{\cdot }\rightarrow \hbox {C}_{37}\hbox {H}_{75}\hbox {O}_{36}^{\cdot }+ \hbox {C}_{3}\hbox {H}_{8}\hbox {O}_{4}\) |
5 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40} +\hbox {H}^{\cdot }\rightarrow \hbox {C}_{18}\hbox {H}_{37}\hbox {O}_{17}^{\cdot } + \hbox {C}_{22}\hbox {H}_{46}\hbox {O}_{23}\) |
6 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{28}\hbox {H}_{57}\hbox {O}_27^{\cdot }+\hbox {C}_{12}\hbox {H}_{25}\hbox {O}_{13}^{\cdot }\) |
7 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{27}\hbox {H}_{55}\hbox {O}_{27}^{\cdot }+\hbox {C}_{13}\hbox {H}_{27}\hbox {O}_{13}^{\cdot }\) |
8 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{21}\hbox {H}_{43}\hbox {O}_{21}^{\cdot }+ \hbox {C}_{19}\hbox {H}_{39}\hbox {O}_{19}^{\cdot }\) |
9 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{18}\hbox {H}_{37}\hbox {O}_{18}^{\cdot }+ \hbox {C}_{22}\hbox {H}_{45}\hbox {O}_{22}^{\cdot }\) |
10 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{8}\hbox {H}_{17}\hbox {O}_{7}^{\cdot }+ \hbox {C}_{32}\hbox {H}_{65}\hbox {O}_{33}^{\cdot }\) |
11 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{7}\hbox {H}_{15}\hbox {O}_{7}^{\cdot }+ \hbox {C}_{33}\hbox {H}_{67}\hbox {O}_{33}^{\cdot }\) |
12 | \(\hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\rightarrow \hbox {C}_{5}\hbox {H}_{11}\hbox {O}_{4}^{\cdot }+ \hbox {C}_{35}\hbox {H}_{71}\hbox {O}_{36}^{\cdot }\) |
13 | \(\hbox {C}_{37}\hbox {H}_{75}\hbox {O}_{37}^{\cdot }+ \hbox {C}_{3}\hbox {H}_{7}\hbox {O}_{3}^{\cdot } \rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\) |
14 | \(\hbox {C}_{35}\hbox {H}_{71}\hbox {O}_{34}^{\cdot } + \hbox {C}_{5}\hbox {H}_{11}\hbox {O}_{6}^{\cdot }\rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\) |
15 | \(\hbox {C}_{22}\hbox {H}_{45}\hbox {O}_{21}^{\cdot }+ \hbox {C}_{18}\hbox {H}_{37}\hbox {O}_{19}^{\cdot }\rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\) |
16 | \(\hbox {C}_{15}\hbox {H}_{31}\hbox {O}_{14}^{\cdot } + \hbox {C}_{25}\hbox {H}_{51}\hbox {O}_{26}^{\cdot }\rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\) |
17 | \(\hbox {C}_{7}\hbox {H}_{15}\hbox {O}_{6}^{\cdot } +\hbox {C}_{33}\hbox {H}_{67}\hbox {O}_{34}^{\cdot } \rightarrow \hbox {C}_{40}\hbox {H}_{82}\hbox {O}_{40}\) |
