Adiabatic operation of catalytic fixed-bed reactors for oxidative coupling of methane (OCM) has been simulated using a detailed microkinetic and reactor model. For several catalysts (1%_wt Sr/La₂O₃, 10%_wt La–20%_wt Sr/CaO, 4%_wt Sn–2%_wt Li/MgO, and 12%_wt Mn–20%_wt Na₂WO₄/SiO₂), diverse in activity and selectivity toward C₂₊ products, operating conditions have been determined that maximize C₂₊ yield at low inlet temperature T₀ (≪923 K). A prior analysis of light-off curves served as a guideline for optimal operating temperature ranges for each catalyst. Imposing a maximum temperature in the reactor (T^max ≤ 1273 K) suggested a limit for the catalytic performances, corresponding to 13% CH₄ conversion and 61% C₂₊ selectivity at the reactor outlet for an active (T₀ = 723 K) Sr/La₂O₃ catalyst, and an improved 19% CH₄ conversion and 82% C₂₊ selectivity for a less active (T₀ = 853 K) NaMnW/SiO₂ catalyst. The obtained results indicated catalyst selectivity, rather than activity, as the key parameter for an industrially relevant adiabatic OCM process.

中文翻译：

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绝热固定床反应器中甲烷氧化偶联的基于模型的催化剂选择

使用详细的微动力学和反应器模型模拟了催化固定床反应器用于甲烷氧化偶联（OCM）的绝热运行。对于几种催化剂（1％_重量的Sr / LA ₂ ö ₃，10％_重量的La-20％ _（重量）的Sr /的CaO，4％ _（重量）的Sn-2％_重量的Li / MgO和12％ _（重量）的Mn-20％ _（重量）的Na ₂ WO ₄ / SiO ₂），对C ₂₊产物的活性和选择性各不相同，已经确定了在低入口温度T _0时最大程度提高C ₂₊收率的操作条件（≪923 K）。事先对起燃曲线的分析可作为每种催化剂最佳操作温度范围的指导。施加的最高温度在反应器中（Ť^最大≤1273 K）建议用于催化性能的限制，对应于13％的CH ₄转化率和61％C ₂₊在反应器出口的选择性的活性（Ť ₀ = 723 K） Sr / La ₂ O ₃催化剂，提高了19％的CH ₄转化率和82％的C ₂₊选择性，从而降低了活性（T ₀ = 853 K）的NaMnW / SiO ₂催化剂。所得结果表明，催化剂选择性而不是活性是工业上相关的绝热OCM工艺的关键参数。