Molecular-Based Simulation of Feedstock Properties for Complex Reaction System

被引：0

作者：

Ouyang Fusheng

Bao Wenjun

Jiang Hongbo

Weng Huixin (Research Center of Petroleum Processing

机构：

来源：

China Petroleum Processing & Petrochemical Technology | 2010年 / 01期

基金：

中国国家自然科学基金;

关键词：

complex reaction system; molecular scale; kinetic model; Monte Carlo simulation; deep catalytic cracking;

D O I：

暂无

中图分类号：

O621.2 [有机化合物性质];

学科分类号：

070303 ; 081704 ;

摘要：

The kinetics of complex reaction systems were studied on molecular level with the combined method of Monte Carlo simulation and Structural Oriented Lumping by focusing on deep catalytic cracking(DCC) process, the model parameters were optimized by means of routine analytic data of a DCC unit.A model was established to transform the feedstock of the complex reaction systems such as DCC to 1000—10000 pseudo-molecules with the Monte Carlo simulation and every molecule was expressed by 19 attributes.The results of model simulation showed that these pseudo-molecules reflected the characteristics of feedstock very well and their average properties gave a good agreement with the plant data.

引用

页码：54 / 60

页数：7

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