In the present study, thermodynamic calculations have been carried out on water gas shift reaction in presence of some selected chemical additives such as ammonia, hydrazine, and urea to understand their impact on the hydrogen generation and carbon suppression. The calculations were performed in a temperature range of 300–1300 K at constant pressure (1 bar) while varying the amount of additives from 0.5 to 2 mol. The results suggest that urea has the highest potential for hydrogen enrichment; however, it also increases carbon formation within the investigated conditions, as compared to other additives, ammonia and hydrazine, which suppress carbon formation along with assisting in hydrogen production. Hydrazine was found to be the most effective in reducing carbon and a molar ratio of N₂H₄:CH₄:CO of 1.5:1:1 was sufficient for completely removing carbon throughout the temperature range of 300–1300 K, as compared to 2:1:1 M ratio for NH₃:CH₄:CO. Both, ammonia and hydrazine, being hydrogen storage materials release hydrogen along with suppressing carbon, which results in suitable conditions for sustained long term catalytic experiments where catalyst poisoning by coking can be eliminated.

在本研究中，在一些选定的化学添加剂（如氨、肼和尿素）存在下，对水煤气变换反应进行了热力学计算，以了解它们对氢气生成和碳抑制的影响。计算是在 300–1300 K 的温度范围内在恒定压力 (1 bar) 下进行的，同时将添加剂的量从 0.5 到 2 mol。结果表明尿素具有最高的富氢潜力；然而，与其他添加剂（氨和肼）相比，在所研究的条件下，它也会增加碳的形成，氨和肼可抑制碳的形成并有助于制氢。发现肼在减少碳和 N ₂ H ₄的摩尔比方面最有效与 NH ₃ :CH ₄ :CO 的比率为 2:1:1 M 相比，1.5:1:1 的:CH ₄ :CO 足以在 300-1300 K 的整个温度范围内完全去除碳。氨和肼作为储氢材料在抑制碳的同时释放氢，这为持续的长期催化实验提供了合适的条件，可以消除焦化引起的催化剂中毒。