Carbon dioxide (CO₂) conversion by catalytic reaction with hydrogen to produce different C1 chemicals is a promising strategy in view of the development of a sustainable chemical industry. In this work, two CO₂ hydrogenation routes are investigated in detail, respectively syngas and formic acid syntheses. Starting from published experimental reaction data, simulation models based on a kinetic analysis were developed and implemented in Aspen Plus process simulator. The two processes are analyzed according to a number of selected technological indicators, comprising CO₂ conversion, specific H₂ consumption, product yield, energy duties, and carbon emissions. To extend our study, three additional CO₂ conversion pathways are considered, respectively methanol, methane, and urea syntheses, whose technological performances were retrieved from similar studies available in the scientific literature. Under the assumption that H₂ is available from renewable sources, our results highlight that CO₂ conversion routes towards fuel compounds (ie, syngas and methane) look particularly appealing from the energy balance point of view. If non‐renewable energy is used to produce H₂, the actual environmental benefits (in terms of net CO₂ emissions) strongly depend on the country‐specific carbon intensity for electricity generation.

中文翻译：

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加氢将CO2转化为C1化学品：通过工艺模拟对不同替代品进行技术比较

考虑到可持续化学工业的发展，通过与氢的催化反应转化二氧化碳（CO ₂）以产生不同的C1化学品是一种有前途的策略。在这项工作中，详细研究了两种CO ₂氢化途径，分别是合成气和甲酸的合成。从已发布的实验反应数据开始，在Aspen Plus过程模拟器中开发并实现了基于动力学分析的模拟模型。根据许多选定的技术指标对这两个过程进行了分析，包括CO ₂转化率，H _2比消耗，产品产量，能效和碳排放量。为了扩展我们的研究，另外三个CO ₂分别考虑了甲醇，甲烷和尿素合成的转化途径，其技术性能可从科学文献中的类似研究中获得。在H ₂可以从可再生资源中获取的假设下，我们的结果突出表明，从能量平衡的角度来看，CO ₂转化为燃料化合物（即合成气和甲烷）的途径特别有吸引力。如果使用不可再生能源生产H ₂，则实际的环境收益（就净CO ₂排放而言）在很大程度上取决于国家特定的发电碳强度。