煤制天然气过程催化甲烷化的数值模拟
Numerical simulation of catalytic methanation process of producing natural gas using coal

两步法煤制天然气的第一步反应主要生产粗煤气CO和H2，调整CO:H2比值后进行甲烷化反应。在计算软件HSC中分别控制温度、压力和CO:H2比例，计算了甲烷化产物变化规律，得到第二步甲烷化反应最适条件是1.8MPa、700℃；通过在计算软件Fluent中进行一步法催化甲烷化反应的模拟，0.1MPa、720℃时的催化甲烷化即可达到无催化高压条件的甲烷产率，甲烷化产率最高时对应的n(H2):n(CO)比值为1.8。
The main products from the first step reaction of the two-step coal gasification are CO and H2, and the ratio of CO to H2 can be adjusted for the next methanation reaction step. A computing software HSC was used to compute the methanation product changing trend by controlling the reaction temperature, pressure and CO/H2 ratio, and the optimum condition for the second step reaction was derived as 1.8 MPa and 700℃. The catalytic methanation reaction was simulated using commercial software Fluent, and the coal gasification and methanation reaction occurred successively in a one-step reactor. The methanation productivity of catalytic methanation under the condition of 720℃ and 0.1 MPa is comparable to the high pressure production without catalytic reaction. The CO/H2 ratio of is up to 1.8 when the highest methanation yield is achieved.