Simulation Analysis for Design of H-2/N-2 Ratio of Feed Gas to Ammonia Synthesis Process Using Ru/CeLaTiOx Catalyst

In this study, we investigated the catalytic performanceand kineticmodel of novel lanthanoid oxide-supported Ru catalysts for NH3 synthesis in mild conditions (P & LE;8 MPa, T & LE; 425 & DEG;C), Ru/Ce0.5La0.4Ti0.1Ox (termed as Ru/CeLaTiOx). It was found that Ru/CeLaTiOx significantlyoutperformed conventional Ru/MgO and Ru/CeO2 catalystsacross the evaluated operating conditions. High NH3 synthesisrates up to & SIM;30 mmol g(cat) (-1) h(-1) were attainable under conditions of 400 & DEG;C,5 MPa, and H-2/N-2 ratios between 1.0 and 1.5.Optimization of the Langmuir-Hinshelwood (LH) kinetic modelincorporating nitrogen hydride (NHx) adsorption was performed,which revealed their strong influence compared to adsorbed N and Hadatoms as intermediate species. Further, the model kinetics showedfavorable dependence toward N-2 and H-2 concentrations,which highlights operational advantage of the introduced catalystsfor renewable-derived NH3 synthesis over the currentlycommercial Fe and Ru catalysts. Process simulation analysis incorporatingthe above-mentioned catalysts and heat recovery system was performed,which attained predicted process efficiency and specific energy consumptionof 62.8% and 8.32 GJ/ton NH3 for the synthesis loop, respectively.

Automated summary

In this study, the catalytic performance and kinetic model of novel lanthanoid oxide-supported Ru catalysts for NH3 synthesis were investigated. The Ru/CeLaTiOx catalyst outperformed conventional Ru/MgO and Ru/CeO2 catalysts across the evaluated conditions, with high NH3 synthesis rates achievable. The LH kinetic model incorporating NHx adsorption was optimized, highlighting the operational advantage of the introduced catalysts. Process simulation analysis achieved predicted efficiency and energy consumption for NH3 synthesis.