采用Gibbs自由能最小化法对四氢呋喃(THF)部分氧化制乙炔和合成气反应进行热化学平衡计算.考察了温度、氧燃比(n(O2)∶n(THF))和压力等因素对THF部分氧化制乙炔和合成气反应产物的影响.实验结果表明,随温度升高,乙炔、合成气含量及氢碳比(n(H2)∶n(CO))明显增大,CH4和C2H4含量先增大后减小,C2H6含量显著减小;1200-1500℃时,乙炔和合成气含量较高,氢碳比较稳定,有利于乙炔和合成气的制备;温度大于1200℃时,随氧燃比的增加,乙炔含量减小,合成气含量增加,在氧燃比0.02-0.10时较为适宜;随压力增加,乙炔和合成气含量减小,C2H4和C2H6含量增加,低压有利于乙炔和合成气的制备.在1200-1500℃、氧燃比为0.10、常压条件下,乙炔和合成气含量最高、氢碳比2.1、副产物含量为0.
The thermochemical equilibrium of acetylene and syngas production from tetrahydrofuran partial oxidation was calculated by the Gibbs free energy minimization method.The effect of temperature,ratio of oxygen to tetrahydrofuran and pressure on the composition and proportion of the products were investigated.The results showed that with the increasing of temperature the components of acetylene and syngas,the ratio of H2 to CO increased obviously,CH4 and C2H4 increased initially then decreased,and C2H6 decreased obviously.In a temperature range of 1200-1500 ℃,the components of acetylene and syngas reached the highest level,the ratio of H2 to CO was relatively stable,favorable to acetylene and syngas production was favored.At temperatures above 1200 ℃,the components of acetylene decreased and syngas increased with the increasing of the ratio of oxygen to tetrahydrofuran.And the suitable ratio of oxygen to tetrahydrofuran was 0.02-0.10.With the increasing of pressure,the components of acetylene and syngas decreased,and C2H4 and C2H6 increased,and low pressure was favorable for acetylene and syngas production.Under the conditions of 1200-1500 ℃,oxygen to tetrahydrofuran ratio at 0.10,and ordinary pressure,the components of acetylene and syngas reached the highest level.The ratio of H2 to CO is 2.1,and the components of by-products is 0.
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