丁烷催化部分氧化重整模拟与优化

Simulation and Optimization of Catalytic Partial Oxidation Reforming of Butane

摘要

丁烷是一种高能量密度的易液化气体燃料，结合催化部分氧化（CPOx）重整技术，适用于便携式固体氧化物燃料电池（SOFC）发电设备。丁烷分子的碳链较长且碳含量较高，在反应中容易导致碳沉积，影响催化剂的长期稳定性。通过建立多物理场耦合的二维轴对称模型，研究了不同温度（600∼800 ^∘C）和碳氧比（0.6∼0.9）条件下丁烷的部分氧化重整反应特性，量化分析了反应器内不同位置积炭倾向。数值模拟结果表明：在 800 ^∘C 、碳氧比 0.9 时，体系实现良好的反应条件，其丁烷的转换效率和 CO 选择性达到最大值。模型揭示积炭主要源自甲烷裂解反应，其中在反应器 x=0.5 cm 处具有最小的积炭倾向，其他区域在低温与高碳氧比条件下呈现显著积炭风险。

Abstract

Butane，a high-energy-density easily liquefied gaseous fuel，is suitable for portable solid oxide fuel cell （SOFC）power generation systems when combined with catalytic partial oxidation（CPOx）reforming technology. However，the long carbon chain and high carbon content of butane molecules tend to cause carbon deposition dur-ing reactions，affecting the long-term stability of catalysts.By establishing a multiphysics-coupled two-dimensional axisymmetric model，this study investigated the characteristics of partial oxidation reforming of butane at different temperatures（600-800^∘C）and carbon-to-oxygen ratios（C/O=0.6-0.9），and quantitatively analyzed the carbon deposition tendencies at various locations within the reactor.Numerical simulation results show that the system achieves optimal reaction conditions at 800^∘C with C/O=0.9，where the butane conversion efficiency and CO se-lectivity reach maximum values.The model reveals that carbon deposition originates primarily from methane crack-ing reactions，with the x=0.5 cm position in the reactor exhibiting a minimal carbon deposition tendency.Other regions demonstrate significant carbon deposition risks under low-temperature and high C/O ratio conditions.

关键词

丁烷 / 催化部分氧化 / 积炭倾向 / 多物理场耦合模拟

Key words

butane / catalytic partial oxidation / carbon deposition tendency / multiphysics coupled simulation

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基金资助

国家自然科学基金优秀青年科学基金资助项目(52322609)