焦炉气非催化部分氧化制合成气数值模拟

Numerical Simulation of Non-Catalytic Partial Oxidation of Coke Oven Gas to Syngas

基于Curran 反应机理,采用Chemkin 软件对贫氧条件下的焦炉气非催化部分氧化过程进行了模拟,并考察了反应温度、反应压力和氧气与焦炉气物质的量之比对焦炉气非催化部分氧化制合成气反应的影响.结果表明：该模型能较好地模拟工业操作条件下的焦炉气非催化部分氧化反应;焦炉气非催化部分氧化动力学时间尺度为毫秒级;反应温度越高,动力学时间越短,当温度提高至1 373 K 后,动力学时间未见明显缩短;反应压力越大,动力学时间越短,当压力提高至3.0 MPa 后,动力学时间未见明显缩短;氧气和焦炉气物质的量之比越大,动力学时间越短,但得到的合成气摩尔分数以及H2 和CO 物质的量之比也相应降低;当氧气和焦炉气物质的量之比增大至0.262 后,合成气中H2 和CO 物质的量之比维持在2.0～2.5.

Syngas production from coke oven gas(COG) with non-catalytic partial oxidation(NCPO) was simulated with Curran detailed reaction mechanism using Chemkin software. Concentration of the main species evolved with time and the effects of operation parameters, such as reaction temperature, reaction pressure and molar ratio of O2 to COG, on the dynamic time, syngas mole fraction and molar ratio of H2 to CO, were investigated. The simulation results showed that under the industrial relevant operating conditions, the simulated syngas(H2+CO) mole fraction and molar ratio of H2 to CO were in agreement with the industrial data, the scale of COG with NCPO dynamic time was ms. The higher the reaction temperature, the shorter dynamic time. At the temperature above 1 373 K, dynamic time did not reduced obviously. The bigger the reaction pressure, the shorter the dynamic time. After the pressure increase to 3.0 MPa, dynamic time reduced slightly. The higher the molar ratio of O2 to COG, the shorter the dynamic time, but the lower the syngas mole fraction and the molar ratio of H2 to CO. As the molar ratio of O2 to COG was more than 0.262, molar ratio of H2 to CO did not descend evidently, keep in the range of 2.0-2.5.