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Corrigendum: “Production of Oxymethylene Dimethyl Ethers from Hydrogen and Carbon Dioxide–Part I: Modeling and Analysis for OME1 & Part II: Modeling and Analysis for OME3–5”
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2020-11-24 , DOI: 10.1021/acs.iecr.0c05592 Jannik Burre 1 , Dominik Bongartz 1 , Alexander Mitsos 1, 2, 3
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2020-11-24 , DOI: 10.1021/acs.iecr.0c05592 Jannik Burre 1 , Dominik Bongartz 1 , Alexander Mitsos 1, 2, 3
Affiliation
Oxymethylene dimethyl ethers (OMEn) are promising alternatives to fossil fuels; they offer outstanding combustion characteristics and can be produced from H2 and CO2, using established process concepts. However, it has remained unknown how efficient a corresponding process is and how the efficiency compares to the production of other synthetic fuels. In Bongartz et al.(1) (Part I of the series) and Burre et al.(2) (Part II of the series), we develop and implement process models for OME1 and OME3–5 production, respectively. The simulation results are used to calculate the exergy efficiency of both the individual processes and the entire value chains, starting from H2 and CO2, by considering heat integration based on pinch analysis. For all involved processes, the corresponding model implementations in Aspen Plus have been uploaded to make them accessible for the research community.(3) The parameters of the kinetic reaction model for the methanol process are taken from Van-Dal and Bouallou,(4) who reformulated the original kinetic model of van den Bussche and Froment.(5) In these publications, the kinetic reaction model and corresponding parameters are based on partial pressures. The kinetic model implementation in Part I(1) and Part II(2) accidentally used fugacities instead of partial pressures. Because of this discrepancy, the reaction equilibrium is shifted slightly, which has a minor influence on the numerical results (see Table 1). In addition, there was a typo in the implemented rate constant of one reaction that, however, did not have a noticeable influence on the results. We replaced the original with the corrected model implementation of the methanol process with the kinetic reaction model based on partial pressures.(3) In addition, the exergy analysis of the heat-integrated trioxane process in Part II(2) is based on hot and cold composite curves, instead of the grand composite curve. While the two representations are equivalent for an energetic analysis (the amount of exchanged energy is the same), heat integration using the grand composite curve results in a lower net exergy demand as the temperature differences between exchanged heat streams are minimized. The original analysis in Burre et al.(2) thus underestimates the exergy efficiency of the heat integrated process. The exergetically more advantageous heat integration by the grand composite curve has an influence on process efficiencies stated in Part II,(2) as follows:
中文翻译:
勘误:“由氢和二氧化碳生产甲醛二甲醚–第一部分:OME1的建模和分析,第二部分:OME 3-5的建模和分析”
甲醛二甲基醚(OME n)是有前途的化石燃料替代品。它们具有出色的燃烧特性,并且可以使用既定的工艺概念由H 2和CO 2生产。然而,仍然未知的是,相应过程的效率如何,以及该效率与其他合成燃料的生产相比如何。在Bongartz等人(1)(系列的第一部分)和Burre等人(2)(系列的第二部分)中,我们分别开发和实现了OME 1和OME 3-5生产的过程模型。仿真结果用于计算从H 2和CO开始的各个过程和整个价值链的火用效率2,基于收缩分析来考虑热集成。对于所有涉及的过程,Aspen Plus中相应的模型实现已上载以使其可供研究人员使用。(3)甲醇过程动力学反应模型的参数取自Van-Dal和Bouallou,(4) (5)在这些出版物中,动力学反应模型和相应的参数是基于分压的。第一部分(1)和第二部分(2)中的动力学模型实现意外地使用了逸度来代替分压力。由于存在这种差异,反应平衡会发生轻微变化,这对数值结果的影响较小(请参见表1)。此外,一个反应的实施速率常数中有一个错字,但对结果没有明显影响。我们用基于分压的动力学反应模型代替了甲醇工艺的校正模型实现。(3)此外,第二部分(2)中热集成三恶烷工艺的火用分析基于热和冷合成曲线,而不是大合成曲线。虽然这两种表示形式在能量分析中是等效的(交换的能量数量相同),但使用大复合曲线进行的热积分会降低净火用需求,因为交换的热流之间的温差最小。因此,Burre等人(2)的原始分析低估了热集成过程的火用效率。
更新日期:2020-12-09
- The overall exergy efficiency of OME3–5 production from H2 and CO2 using established process concepts is 55% (see the graphical abstract, abstract, Section 5.2, Figure 7, and Conclusion in Part II(2)).
- If we include H2 production by alkaline electrolysis, the exergy efficiency of the overall process chain drops to 40%.
- If we include H2 production by alkaline electrolysis and CO2 provision by carbon capture from flue gas, the exergy efficiency of the overall process chain is 37%.
- The exergy efficiency of the individual trioxane process is 58% (see Section 5.2 and Figure 7 in Part II(2)).
- If we consider a formaldehyde conversion for the trioxane process of 10% instead of 5%, the exergy efficiency of the individual trioxane process is 67% and the exergy efficiency of the overall process chain 58% (see Section 5.2 and Figure 6 in Part II(2)).
- Considering a pinch-based heat integration throughout the entire process chain (i.e., heat integration not only within the individual processes and subsequent exchange of excess steam between them), the exergy efficiency increases to 57% (see the abstract and Section 5.2 in Part II(2)).
- If we include H2 production by alkaline electrolysis and consider heat integration within the entire process chain, the exergy efficiency of the overall process chain is 41% (see Section 5.2 in Part II(2)).
- If we include H2 production by alkaline electrolysis, CO2 provision by carbon capture from flue gas, and consider heat integration within the entire process chain, the exergy efficiency of the overall process chain is 38% (see Section 5.2 in Part II(2)).
中文翻译:
勘误:“由氢和二氧化碳生产甲醛二甲醚–第一部分:OME1的建模和分析,第二部分:OME 3-5的建模和分析”
甲醛二甲基醚(OME n)是有前途的化石燃料替代品。它们具有出色的燃烧特性,并且可以使用既定的工艺概念由H 2和CO 2生产。然而,仍然未知的是,相应过程的效率如何,以及该效率与其他合成燃料的生产相比如何。在Bongartz等人(1)(系列的第一部分)和Burre等人(2)(系列的第二部分)中,我们分别开发和实现了OME 1和OME 3-5生产的过程模型。仿真结果用于计算从H 2和CO开始的各个过程和整个价值链的火用效率2,基于收缩分析来考虑热集成。对于所有涉及的过程,Aspen Plus中相应的模型实现已上载以使其可供研究人员使用。(3)甲醇过程动力学反应模型的参数取自Van-Dal和Bouallou,(4) (5)在这些出版物中,动力学反应模型和相应的参数是基于分压的。第一部分(1)和第二部分(2)中的动力学模型实现意外地使用了逸度来代替分压力。由于存在这种差异,反应平衡会发生轻微变化,这对数值结果的影响较小(请参见表1)。此外,一个反应的实施速率常数中有一个错字,但对结果没有明显影响。我们用基于分压的动力学反应模型代替了甲醇工艺的校正模型实现。(3)此外,第二部分(2)中热集成三恶烷工艺的火用分析基于热和冷合成曲线,而不是大合成曲线。虽然这两种表示形式在能量分析中是等效的(交换的能量数量相同),但使用大复合曲线进行的热积分会降低净火用需求,因为交换的热流之间的温差最小。因此,Burre等人(2)的原始分析低估了热集成过程的火用效率。
- 使用已建立的工艺概念,从H 2和CO 2生产OME 3-5的总火用效率为55%(请参见图形摘要,摘要,第5.2节,图7和第II(2)部分的结论)。
- 如果我们包括通过碱性电解生产的H 2,则整个工艺链的火用效率将降至40%。
- 如果我们包括通过碱性电解生产H 2和通过从烟气中捕集碳来提供CO 2,则整个工艺链的火用效率为37%。
- 单个三恶烷工艺的火用效率为58%(请参阅第5.2节和第二部分(2)中的图7)。
- 如果我们认为三恶烷工艺的甲醛转化率是10%而不是5%,那么单个三恶烷工艺的火用效率为67%,整个工艺链的火用效率为58%(请参阅第5.2节和第二部分中的图6) (2))。
- 考虑到整个过程链中基于捏合的热集成(即,不仅在单个过程中进行热集成,而且随后在它们之间进行过量的蒸汽交换),火用效率提高到57%(请参见摘要和第二部分5.2节) (2))。
- 如果我们包括通过碱性电解生产H 2并考虑整个过程链中的热集成,则整个过程链的火用效率为41%(请参阅第II(2)部分的5.2节)。
- 如果我们包括通过碱性电解生产H 2,通过从烟道气捕集碳来提供CO 2,并考虑整个过程链中的热集成,那么整个过程链的火用效率为38%(请参阅第II(2)部分5.2节) ))。