用Gibbs自由能最小法计算了在不同温度下,不同体系的碳氢化合物裂解的平衡组成。考察了不同压力和温度下,以甲烷、乙烷和苯为原料时系统中主要组分的浓度随反应条件的变化;改变了等离子体工作气的种类,考察了工作气对平衡组分的影响。计算结果表明:低温裂解碳氢化合物有利于生成固体的碳,在很高温度下,体系中仅有气相碳、氢自由基等组成,容易形成纳米碳管和纳米碳球;热裂解时使用氮等离子体将产生大量的毒气,而使用空气等离子体可以适当减少毒气的生成,但是纳米碳球和纳米碳管的产率下降。
Based on the minimization of Gibbs free energy, equilibrium compositions were calculated for the hydrocarbon pyrolysis. The main compositions during methane, ethane and benzene pyrolysis under various temperatures and pressures were plotted, respectively. The plasma working gas was also varied to investigate the influence on the equilibrium compositions. Numerical simulations show that the solid carbon yield is high at relatively low temperature, the concentration of carbon in gas phase will be high at very high temperature yielding the carbon nanotubes and carbon nanospheres, and much poisonous gas forms when there exists nitrogen during pyrolysis.