摘要
以DCC I工艺的工业常规分析数据为基础 ,采用MonteCarlo模拟和结构导向集总相结合的方法在分子尺度上对复杂反应体系的动力学进行研究 .主要介绍了如何将原料转化为 10 0 0个分子 ,每个分子又以 19个特征表示的原料分子的MonteCarlo模拟 .结果表明生成的分子能很好地反映原料的特性 。
The kinetics of complex reaction systems were studied on molecular scale with the combined method of Monte Carlo simulation and Structural Oriented Lumping by focusing on deep catalytic cracking (DCC), the model parameters were optimized with the regular analytic data of a DCC Ⅰ unit A model was established to transform the feedstock of the complex reaction systems such as DCC Ⅰ to 1000 molecules with Monte Carlo simulation and every molecule was expressed by 19 attributes The results of model simulation showed that these 1000 molecules reflected the characters of feedstock very well and their average properties gave a good agreement with the plant data
出处
《化工学报》
EI
CAS
CSCD
北大核心
2003年第11期1539-1545,共7页
CIESC Journal
