Calculation of the composition of the conversion gas in the methane catalytic partial oxidation methanol process
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As the title suggests, dear colleagues, given the composition of the gas entering the conversion furnace and knowing that methane vapor undergoes catalytic partial oxidation, how can we calculate the composition of the gas at the exit of the conversion furnace? I would appreciate your guidance and recommendations for relevant literature.
“What is the reaction process of “catalytic partial oxidation of methane vapor”? Is it CH4 + H2O + O2 that produces CO + H2? The equilibrium composition of reaction products can be calculated using the Gibbs free energy minimization method. You can refer to the relevant concepts of chemical reaction equilibrium in physical chemistry to carry out the calculations by yourself; for greater convenience, you can use process simulation software such as Aspen Plus or Pro/II.
H2 + 0.5O2 = H2O (vapor) + ΔQ
CH4 + 2O2 → CO2 + 2H2 + ΔQ
CH4 + H2O = CO + 3H2 – ΔQ
CO + H2O = CO2 + H2 + ΔQ
We are dealing with the process of producing methanol from coke oven gas; these are the reactions that take place in the second furnace. I was wondering how to calculate this without using any software; please give me some advice.
CH4 + 2O2 → CO2 + 2H2 + ΔQ
CH4 + H2O = CO + 3H2 – ΔQ
CO + H2O = CO2 + H2 + ΔQ
We are dealing with the process of producing methanol from coke oven gas; these are the reactions that take place in the second furnace. I was wondering how to calculate this without using any software; please give me some advice.
As I already mentioned above, it’s the Gibbs free energy minimization method; you should look up some relevant information on it.
The equilibrium constant for the reaction of partial oxidation of methane to syngas: The equilibrium constant for this reaction can be expressed using the following formula: kp = (p CO · p H2) / (p CH4 · p O2^{1/2}). Here, kp represents the equilibrium constant for the partial oxidation of methane to syngas; p CH4, p CO, p H2, and p O2 represent the equilibrium partial pressures of methane, carbon monoxide, hydrogen, and oxygen, respectively. The equilibrium constants for the reaction of partial oxidation of methane to syngas, CH4 + 1/2O2 = CO + 2H2, as calculated using formulas, are shown in the table below. Reaction temperature (°C) Equilibrium constant (Kp) Reaction temperature (°C) Equilibrium constant (Kp): 600, 700, 800, 900 – 2.1691×1012, 1.0296×1012, 6.0475×1011, 4.1081×1011; 1000, 1200, 1400, 1600 – 3.0557×1011, 1.9574×1011, 1.4236×1011, 1.0281×1011
If performing calculations manually, I recommend \"Engineering of Synthetic Ammonia\" by Jiang Shengjie, which contains numerous explanations and examples. However, manual calculation has poor accuracy and is also time-consuming. Software for calculations: Many heat transfer simulation software options seem to work, but I know that Taiyuan Zhongning Engineering Technology Co., Ltd. has developed a software specifically designed for the conversion of gaseous hydrocarbons. It is highly targeted.