本研究通过对比CO、H₂、N₂三种气氛下的液化行为，探究了CO对神华上湾煤液化过程的影响，并进一步研究不同CO/H₂比以及催化剂对合成气条件下液化过程的影响。结果显示，在CO气氛下煤直接液化的油产率达到43.1%，比H₂气氛中低4.2%，但比N₂气氛下高10.2%，添加神华863催化剂后液化效果得到进一步的提升，表明，CO在液化过程中可通过水煤气变换反应和CO与煤有机结构间的反应促进煤液化。对液化产物进行GC-MS、FT-IR等分析发现，CO使液化油中苯系物、脂肪烃与含氧化合物同时增多，对液化残渣中官能团与自由基浓度的影响不明显。在CO+H₂合成气下的实验结果表明，在20%CO的合成气中煤液化具有最高的油产率，达到57.4%；适当提高煤的含水量能够提升液化效果；神华863催化剂对液化过程与水煤气变换反应均具有良好的催化作用。

Direct coal liquefaction (DCL) under CO or syngas atmosphere is beneficial to reduce the cost of hydrogen production. Effects of CO on liquefaction process of Shangwan coal were investigated by comparing the liquefaction behavior in three atmospheres of CO, H₂ and N₂. Then, effects of different CO/H₂ ratios and catalysts on the liquefaction process in syngas were investigated. The results indicated that the oil yield under CO atmosphere reached 43.1%, which was 4.2% lower than that under H₂, but 10.2% higher than that under N₂. The liquefaction performance was further improved by adding the Shenhua 863 catalyst. It is analyzed that CO promoted liquefaction in two ways: water-gas shift reaction and the reaction between CO and organic structures of coal. Through characterization of the products by GC-MS and FT-IR, it was found that CO makes benzenes, aliphatics, and oxygen-containing compounds in liquefied oil simultaneously increased. The effect on functional groups and free radicals concentration in the solid products was not obvious. The experimental results under syngas showed that the highest oil yield, 57.4%, can be obtained in DCL with 20% CO syngas, and further improved by increasing moisture content of coal appropriately. In addition, the Shenhua 863 catalyst had a good catalytic effect on the liquefaction process and also water-gas shift reaction.