Multiscale characterization framework for sorption enhanced reaction processes
Multiscale characterization framework for sorption enhanced reaction processes
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DOI：
10.1002/aic.11428
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发表时间：
2008-04
期刊：
影响因子：
3.7
通讯作者：
Ankur Kapil;S. Bhat;J. Sadhukhan
中科院分区：
文献类型：
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作者：
Ankur Kapil;S. Bhat;J. Sadhukhan
一个多尺度模拟和表征框架已经开发的吸附增强反应过程的多相多功能催化剂的吸附性能。具有原位催化和吸附功能的颗粒在实现高纯度和生产率方面具有明显的优势。这些过程受到颗粒内部扩散的强烈限制。为了解决这个问题，在颗粒水平上进行更详细的表征是必不可少的，这是这里的主要目标。在固定床反应器中，建立了一个统一的模型框架，将体尺度下的连续介质模型与颗粒多孔尺度下的扩散-反应-吸附模型相结合。在散装规模的纯度和生产率的目标是敏感的各种设计和操作变量，如壁温，床层空隙率和进料组成等两个重要的颗粒水平特性也被确定：分布的催化剂和吸附剂内的颗粒，和孔隙半径的比率曲折。它已被证明，考虑详细的扩散模型在多孔水平提供了更好的洞察催化剂的设计和过程强化。天然气重整反应与吸附生产纯氢燃料电池和燃烧应用已被用作案例研究，以建立该方法的有效性。2008美国化学工程师学会AIChE J，54：1025-1036，2008
A multiscale simulation and characterization framework has been developed for sorption enhanced reaction processes with heterogeneous multifunctional catalysts with sorption properties. Particles with in situ catalytic and sorption functionalities have obvious advantages in achieving high-purity and productivity. These processes are strongly limited by diffusion inside particle. In order to tackle this problem a more detailed characterization at particle level is essential, which is the main objective here. A unified framework has been developed that integrates continuum model at bulk scale with the diffusion-reaction-sorption model at particle porous scale in a fixed-bed reactor. At bulk scale the objectives of purity and productivity are sensitive to various design and operating variables, such as wall temperature, bed voidage and feed compositions, etc. Two important particle level characteristics are also identified: distribution of catalyst and sorbent inside particles, and the ratio of pore radius to tortuosity. It has been demonstrated that considering detailed diffusivity model at porous level offers better insights into catalyst design and process intensification. Natural gas reforming reaction with sorption producing pure hydrogen for fuel cell and combustion applications has been used as a case study to establish the effectiveness of the methodology. 2008 American Institute of Chemical Engineers AIChE J, 54: 1025–1036, 2008