Table 1 Conversion, selectivity and turnover frequencies of n-hexane hydrogenolysis predicted by the microkinetic CSTR model for the Zr(O)2/m-ZrO2 active site with respect to the effective residence timea
From: Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis
Effective residence time (α × τ) (s) | Conversion (%) | Selectivity (%) | Turnover frequency (s–1)b | |||
|---|---|---|---|---|---|---|
Hexene | Propane | Propene | ||||
Initial | – | 100 | 3 × 10–2 | 3 × 10–2 | 4 × 10–1 | |
10–6 | 6 × 10–6 | 98 | 2 | 1 × 10–1 | 6 × 10–3 | |
10–4 | 3 × 10–5 | 42 | 58 | 4 × 10–2 | 2 × 10–4 | |
10–2 | 1 × 10–3 | 9 × 10–1 | 99 | 7 × 10–4 | 1 × 10–4 | |
1 | 1 × 10–1 | 9 × 10–3 | 100 | 8 × 10–6 | 1 × 10–4 | |
102 | 12 | 9 × 10–5 | 100 | 2 × 10–6 | 1 × 10–4 | |
104 | 94 | 9 × 10–7 | 100 | 1 × 10–6 | 9 × 10–6 | |
