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首页> 外文期刊>Applied Catalysis, A. General: An International Journal Devoted to Catalytic Science and Its Applications >Reaction kinetics and reactor modeling for fuel processing of liquid hydrocarbons to produce hydrogen:isooctane reforming
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Reaction kinetics and reactor modeling for fuel processing of liquid hydrocarbons to produce hydrogen:isooctane reforming

机译：液态烃燃料生产氢的反应动力学和反应器建模：异辛烷重整

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A mathematical model was developed in the framework of the process simulator Aspen Plus~R in order to describe the reaction kinetics and performance of a fuel processor used for autothermal reforming of liquid hydrocarbons.Experimental results obtained in the facilities of Argonne National Laboratories (ANL) when reforming isooctane using a ceria-oxide catalyst impregnated with platinum were used in order to validate the reactor model.The reaction kinetics and reaction schemes were taken from published literature and most of the chemical reactions were modeled using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) formulation to account for the effect of adsorption of reactants and products on the active sites of the catalyst.The water-gas-shift (WGS) reactor used to reduce the concentration of CO in the reformate was also modeled.Both reactor te account for the effect of intraparticle mass transfer limitations on the reactor performance.Since the data in the literature on kinetics of autothermal reforming of liquid hydrocarbons using CeO_2-Pt catalyst is scarce, the proposed kinetic model for the reaction network was coupled to the sequential quadratic programming (SQP) algorithm implemented in Aspen Plus~R in order to regress the kinetic constants for the different reactions.The model describes the trend of the experimental data in terms of hydrogen yield and distribution of products with a relative deviation of (+-)15% for reforming temperatures between 600 and 800 deg C and reactor space velocities between 15 000 and 150 000 h~(-1).
机译：在过程仿真器Aspen Plus〜R的框架内开发了一个数学模型，以描述用于液态烃自热重整的燃料处理器的反应动力学和性能。在阿贡国家实验室（ANL）的设施中获得的实验结果当使用浸渍有铂的二氧化铈催化剂重整异辛烷时，用于验证反应器模型。反应动力学和反应方案摘自已发表的文献，大多数化学反应均使用Langmuir-Hinshelwood-Hougen-Watson进行建模（LHHW）配方以考虑反应物和产物的吸附对催化剂活性位点的影响。还对用于降低重整产品中CO浓度的水煤气变换（WGS）反应器进行了建模。考虑到颗粒内传质限制对反应器性能的影响。很少使用CeO_2-Pt催化剂对液态烃进行其他重整，所提出的反应网络动力学模型与在Aspen Plus〜R中实施的顺序二次编程（SQP）算法耦合，以回归不同反应的动力学常数。该模型以氢气产量和产物分布的形式描述了实验数据的趋势，其中重整温度在600至800摄氏度之间，反应堆空间速度在15,000至15万小时之间，相对偏差为（±）15％。 （-1）。

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