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.