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本文使用Gibbs自由能最小化法和熵最大化法对考虑催化剂效应下的CO_2加氢合成低碳烯烃反应进行了热力学分析,系统研究了反应温度、压力、进料气摩尔比和不同的化学和工业手段对平衡状态的影响。结果表明,CO_2加氢合成低碳烯烃符合“两步合成机制”的反应机理,CO_2平衡转化率随温度增大先减少后增大。向合成气中添加CO能提高烯烃的选择性,同时,与不考虑催化剂效应的结果不同,除去反应中生成的。H_2O可提高烯烃的选择性与产量。使用熵最大法对平衡温度的计算显示,反应压力不影响反应体系的平衡温度,但过高的进料气氢碳比会增加反应的放热量,适当增高进料气温度可在一定程度上降低平衡温度,防止反应器过热形成热点。
In this paper, Gibbs free energy minimization and entropy maximization were used to analyze the reaction of CO 2 hydrogenation and synthesis of light olefins under the catalyst effect. The effects of reaction temperature, pressure, molar ratio of feed gas and different chemical and The Impact of Industrial Instruments on Balance. The results showed that the CO_2 hydrogenation of light olefins was in accordance with the reaction mechanism of “two-step synthesis mechanism”, and the CO 2 equilibrium conversion decreased first and then increased with the increase of temperature. The addition of CO to the syngas increases the selectivity of the olefin and, at the same time, removes the formation of the reaction, unlike the result which does not take into account the catalyst effect. H 2 O improves the selectivity and yield of olefins. Calculation of the equilibrium temperature using the entropy maximization method shows that the reaction pressure does not affect the equilibrium temperature of the reaction system. However, an excessively high hydrogen-to-carbon ratio of the feed gas will increase the exothermic amount of the reaction. Appropriately increasing the feed gas temperature may reduce to a certain extent Balance the temperature to prevent the reactor from overheating to form hot spots.