Study on the zeolite acidity and the catalytic activity by a combined method of IRMS-TPD of ammonia experiment and DFT calculation

采用IRMS-TPD氨实验和DFT计算相结合的方法，研究了催化剂的强酸性和催化活性。因此，三个不同的条件下，催化裂化进行快速观察：i。例如，其活性与强的刘易斯酸性、增强的布朗斯台德酸性或不同的反应机理有关。HY基催化剂的酸强度与裂化活化能之间存在明显的相关性，而HZSM-5分子筛的酸强度与裂化活化能之间没有明显的相关性。

By using a combined method of IRMS-TPD of ammonia experimentand DFT calculation, the strong acidity and the catalytic activity observed were studied. Thus, three different conditions in which the catalytic cracking proceeded fast were observed ; i. e., the activity was related with the strong Lewis acidity, the enhanced Bronsted acidity, or the different reaction mechanism. The correlation between the acid strength and the activation energy for cracking was clearly observed on the HY based catalysts but not on the HZSM-5 zeolites.