CO2Fix: An approach to assess CO2 fixation potential of CCU reaction pathways

IF 3.9 2区 工程技术 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Computers & Chemical Engineering Pub Date : 2023-10-01 DOI:10.1016/j.compchemeng.2023.108398
Gasim Ibrahim , Mohamed S. Challiwala , Hanif A. Choudhury , Guiyan Zang , Mahmoud M. El-Halwagi , Nimir O. Elbashir
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Abstract

In this work we present a simple, yet powerful, metric for estimating the potential of a CCU reaction pathway to fix CO2. The CO2Fix metric is determined by using a model that accounts for various process variables and parameters that influence the ability of the reaction to convert CO2 in addition to its propensity to produce CO2 through the energy requirements of the process. The CO2Fix metric in this work accounts only for the direct CO2 emissions and indirect CO2 emissions related to the reaction portion of a CCU process. We demonstrate the use of the model to estimate the CO2Fix in two case studies representing common CCU reactions: dry reforming of methane (DRM) and CO2 hydrogenation to methanol. When using natural gas-powered energy, and under the same process assumptions, the CO2Fix was estimated to be 1.1 and 3.9 for the DRM and CO2 hydrogenation reactions respectively.

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CO2Fix:一种评估CCU反应途径CO2固定电位的方法
在这项工作中,我们提出了一个简单而强大的指标,用于估计CCU反应途径固定CO2的潜力。CO2Fix指标是通过使用一个模型来确定的,该模型考虑了影响反应转化二氧化碳的能力的各种过程变量和参数,以及通过过程的能量需求产生二氧化碳的倾向。这项工作中的CO2Fix度量仅考虑与CCU过程的反应部分相关的直接二氧化碳排放和间接二氧化碳排放。我们在代表常见CCU反应的两个案例研究中演示了使用该模型来估计CO2Fix:甲烷干重整(DRM)和二氧化碳加氢制甲醇。当使用天然气能源时,在相同的过程假设下,DRM和CO2加氢反应的CO2Fix分别为1.1和3.9。
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来源期刊
Computers & Chemical Engineering
Computers & Chemical Engineering 工程技术-工程:化工
CiteScore
8.70
自引率
14.00%
发文量
374
审稿时长
70 days
期刊介绍: Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.
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