摘要
实验在等温无梯度反应器内进行 ,使用 12 0～ 140mesh的FX - 0 2催化剂 ,用量 85 0～ 45 0 0mg,温度 130～2 10± 1℃ ,压力 1 95± 0 0 2MPa ,搅拌转速 10 0 0rpm下 ,研究了苯与乙烯烷基化反应动力学。在研究过程中 ,利用Soave汽液平衡模型计算了苯与乙烯烷基化反应中体系的汽液相平衡 ,从而通过计算 ,取得了动力学实验中不能直接测得的液相组成数据 ,并在此基础上进行了动力学模型的参数估值。参数估值过程采用改进的Gauss New ton法 ,以最小二乘为准则直接对常微分形式的反应动力学模型进行估值。对反应动力学模型的方差分析和残差分析的显著性检验表明 ,反应动力学模型基本无缺陷 ,其对实验数据的拟合也比较好。由此表明 。
Kinetics of alkylation of benzene with ethylene over FX 01 catalyst was studied in a high pressure gradientless autoclave reactor. The experimental conditions are in a temperature 130～210±1℃, pressure 1 95±0 02MPa, impeller speed 1000rpm. The concentration of each component in liquid phase could not be measured directly. However, they were the fundamental data for the calculation of the kinetic equation. In this study, they were calculated by using the Soave gas liquid equilibrium model. And the parameters of the kinetic model were estimated by using modified Gauss Newton method with the least square criteria. Via the analysis of variance and residual, the kinetic model was almost flawless. The calculated value could agree well with the experimental data. These results showed that use of Soave model in calculation of the kinetics of alkylation of benzene with ethylene was feasible.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2001年第3期217-222,共6页
Computers and Applied Chemistry
