Catalytic partial oxidation of iso-octane over rhodium catalysts: An experimental, modeling, and simulation study
Catalytic partial oxidation of iso-octane over rhodium catalysts: An experimental, modeling, and simulation study
复制标题
铑催化剂上异辛烷的催化部分氧化：实验、建模和模拟研究
DOI：
10.1016/j.combustflame.2010.03.005
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发表时间：
2010
影响因子：
4.4
通讯作者：
O. Deutschmann
中科院分区：
文献类型：
--
作者：
M. Hartmann;L. Maier;H. D. Minh;O. Deutschmann
在不同的燃料与氧气的比率的短接触时间内，对铑/氧化铝涂覆的蜂窝整体料上异辛烷的催化部分氧化进行了实验和数值研究。提出了一种具有明确入口和边界条件的新实验装置。催化剂上和气相中的转化通过详细的反应机理进行建模，包括 857 种气相和 17 种吸附物质。基于基本步骤的异相和均相反应机制被实施到单个整体通道的二维流场描述中。实验和模拟为复杂的反应网络提供了新的见解，导致产物分布随燃料与氧气的比率而变化。在燃料丰富的条件下，观察并解释了可用作焦炭前体的副产物的形成。
Catalytic partial oxidation of iso-octane over a rhodium/alumina coated honeycomb monolith is experimentally and numerically studied at short-contact times for varying fuel-to-oxygen ratios. A new experimental set-up with well-defined inlet and boundary conditions is presented. The conversion on the catalyst and in the gas-phase is modeled by detailed reaction mechanisms including 857 gas-phase and 17 adsorbed species. Elementary-step based heterogeneous and homogeneous reaction mechanisms are implemented into two-dimensional flow field description of a single monolith channel. Experiment and simulation provide new insights into the complex reaction network leading to varying product distribution as function of fuel-to-oxygen ratio. At fuel rich conditions, the formation of by-products that can serve as coke precursors is observed and interpreted.