Abstract A kinetic model for the CO2 + CO hydrogenation to dimethyl ether (DME) in a single step over an original core-shell structured CuO-ZnO-ZrO2@SAPO-11 bifunctional catalyst (metallic in the core and acid in shell) has been established. The catalytic runs have been carried out in an isothermal fixed bed reactor under the following conditions: 250–325 °C; 10–50 bar; space time, 1.25–15 gcat·h·molC−1; H2/COx molar fraction in the feed, 2.5–4, and CO2/COx, 0–1. The catalyst has a high activity and stability as a result of the separation of the reactions in the two functions. The model describes the effect of the operating conditions (temperature, pressure and feed composition) over the evolution of product distribution with time on stream. For this, the individual reactions (CO2 and CO hydrogenation to methanol, its dehydration to DME, the WGS reaction and the side reaction of hydrocarbons formation) are considered together with catalyst deactivation. Using the model, simulation studies allow for establishing suitable operating conditions (305 °C, 70 bar, CO2/COx of 0.75 and H2/COx of 3) to attain a good compromise between DME yield and CO2 conversion, reaching a value of 23% for both objectives.

中文翻译：

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CuO-ZnO-ZrO2@SAPO-11核壳催化剂上CO2+CO加氢生成二甲醚的动力学模型

摘要 在原始核-壳结构的 CuO-ZnO-ZrO2@SAPO-11 双功能催化剂（核为金属，壳为酸）上，CO2 + CO 一步加氢生成二甲醚 (DME) 的动力学模型已经建立。已确立的。催化运行在以下条件下在等温固定床反应器中进行：250–325 °C；10–50 巴；时空，1.25–15 gcat·h·molC−1；进料中的 H2/COx 摩尔分数为 2.5-4，CO2/COx 为 0-1。由于两种功能的反应分离，该催化剂具有高活性和稳定性。该模型描述了操作条件（温度、压力和进料组成）对产品分布随时间变化的影响。为此，各个反应（CO2 和 CO 加氢生成甲醇，脱水生成 DME，WGS 反应和碳氢化合物形成的副反应）与催化剂失活一起考虑。使用该模型，模拟研究允许建立合适的操作条件（305 °C，70 bar，CO2/COx 为 0.75，H2/COx 为 3）以在 DME 产率和 CO2 转化率之间实现良好的折衷，达到 23% 的值对于这两个目标。