程序升温分析谱图新模型

A New Mathematics Model of the Temperature Programmed Analysis Technology

以表面作用包括表面吸/脱附以及表面反应本征速率方程为基础,提出新的程序升温分析技术(TPAT)的数学模型。与经典的理论模型相比,这种新的TPAT理论模型更接近实际的程序升温分析实验过程。设计和进行特定催化剂的TPD、TPR及TPO实验,得到相应的程序升温谱图,采用新的TPAT理论模型模拟上述谱图,计算出相应的表面作用活化能等重要热力学参数。结果表明,新的理论模型具有良好的模拟性能,平均相对误差(ARD)小于1%。

Based on the surface effect including surface adsorption/desorption and intrinsic kinetics rate equation,a new mathematical model of the temperature programmed analysis technology was proposed.This model is different from the classical TPAT theory models,which indicates much more coincidence with the actual reactions than other models.TPAT（TPD,TPR and TPO） experiments were designed and carried out to receive their profiles.Based on these profiles of TPAT and the simulated experiments,the novel theory model was designed and the thermodynamics parameters（such as activation energy,etc.） were deduced and calculated by this model.The results show that this model has excellent simulation with the actual experiments,and the average relative errors are easily controlled less than 1%.