Data associated with journal article 'Modelling of high purity H2 production via sorption enhanced chemical looping steam reforming of methane in a packed bed reactor'. Syed Zaheer Abbas, Valerie Dupont, Tariq Mahmud (2017)

Data derived from UKCCSRC Call 2 Project C2-181. The journal article can be found at http://dx.doi.org/10.1016/j.fuel.2017.03.072. Sorption enhanced chemical looping steam reforming of methane (SE-CLSR) relies on the exothermicity of both a metal catalyst’s oxidation and the in situ CO2 capture by carbonation onto a solid sorbent to provide the heat demand of hydrogen (H2) production by steam reforming while generating a nearly pure H2 product. A brief thermodynamic analysis to study the main features of the SE-CLSR process is done prior to the reactor modelling work. Later, one dimensional mathematical model of SE-CLSR process in the packed bed configuration is developed using gPROMS model builder 4.1.0 under the adiabatic conditions. This model combines reduction of the NiO catalyst with the steam reforming reactions, followed by the oxidation of the Ni-based reduced catalyst. The individual models of NiO reduction, steam reforming with in situ CO2 capture on Ca-sorbent, and Ni re-oxidation are developed by using kinetic data available in literature and validated against previous published work. The model of SE-CLSR is then applied to simulate 10 alternative cycles of the fuel and air feed in the reactor. The performance of the model is studied in terms of CH4 conversion, CO2 capture efficiency, purity and yield of H2. The sensitivity of the process is studied under the various operating conditions of temperature, pressure, molar steam to carbon ratio (S/C) and mass flux of the gas phase. In this work, the operating conditions used for the production of H2 represent realistic industrial production conditions. The sensitivity analysis demonstrates that the developed model of SE-CLSR process has the flexibility to simulate a wide range of operating conditions of temperature, pressure, S/C and mass flux of the gas phase.

本数据集源自于UKCCSRC Call 2项目C2-181。相关研究论文可查阅http://dx.doi.org/10.1016/j.fuel.2017.03.072。增溶化学循环蒸汽重整甲烷（SE-CLSR）技术，依托于金属催化剂氧化反应的放热特性以及固体吸附剂上原位碳化捕集CO2，以满足蒸汽重整制备氢气（H2）的热需求，并生成近乎纯净的H2产品。在反应器建模工作之前，对SE-CLSR过程进行了简要的热力学分析。随后，利用gPROMS模型构建器4.1.0，在绝热条件下，建立了SE-CLSR过程在填充床配置下的单维数学模型。此模型将NiO催化剂的还原与蒸汽重整反应相结合，随后进行基于镍的还原催化剂的氧化。通过文献中可获得的动力学数据，开发了NiO还原、在Ca吸附剂上原位捕集CO2的蒸汽重整以及Ni再氧化的个体模型，并通过与先前发表的文献进行验证。接着，将SE-CLSR模型应用于模拟反应器中燃料和空气进料的10种替代循环。通过CH4转化率、CO2捕集效率、H2的纯度和收率等指标，研究了模型的性能。在温度、压力、蒸汽碳摩尔比（S/C）和气相质量通量等不同操作条件下，对过程进行了敏感性分析。在本研究中，用于H2生产的操作条件代表了实际的工业生产条件。敏感性分析表明，所开发的SE-CLSR过程模型具有模拟温度、压力、S/C和气相质量通量等广泛操作条件的灵活性。