FCC反应机理与分子水平动力学模型研究——Ⅰ.动力学模型建立

FCC REACTION MECHANISM AND KINETIC MODELING BASED ON MOLECULAR DESCRIPTION Part 1 Model Establishment

以催化裂化反应机理为基础,把FCC原料及产品按馏程和化学组成进行集总划分,考虑氢转移、芳构化、环化和缩合等二次反应,通过对反应网络的合理简化,提出了一种分子水平的动力学模型,并对热裂化反应生成的干气与原料性质及产物进行了关联。该模型不仅可以对产品的产率及分布进行预测,而且也可以进行产品化学组成的模拟。

A molecular kinetic model was derived on the basis of FCC mechanism to represent the cracking reactions. Lumps were defined not only by the boiling ranges of the feedstock and products, but also by their chemical compositions. Through the reasonably simplified reaction network, a molecular lumping model was proposed in consideration of secondary reactions in FCC, such as hydrogen transfer, cyclization, aromatization and condensation, etc. Dry gas produced by thermal cracking was correlated with both feedstock property and products. The said model not only predicts the product yields and product slate but also can simulate the chemical composition of the products.