| 基于结构导向集总模拟渣油分子组成 |
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| 引用本文： | 田立达,沈本贤,刘纪昌. 基于结构导向集总模拟渣油分子组成[J]. 石化技术与应用, 2012, 30(5): 387-392 |
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| 作者姓名： | 田立达 沈本贤 刘纪昌 |
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| 作者单位： | 华东理工大学化学工程联合国家重点实验室,上海,200237 |
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| 基金项目： | 国家重大基础研究(973计划)项目 |
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| 摘 要： | 基于结构导向集总方法,采用22种结构向量描述渣油分子,并结合分子集总性质数据和模拟退火算法,建立了一种模拟渣油分子组成的方法。结果表明,该方法用7 004种分子集总代表渣油分子组成,模拟计算得到渣油的各种平均物理性质与实测值基本吻合,可用于表征真实渣油的性质。
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| 关 键 词： | 结构导向集总 结构向量 分子组成模拟 渣油 模拟退火算法 |
Simulation of the molecular composition of residue based on structure oriented lumping concept |
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| TIAN Li-da , SHEN Ben-xian , LIU Ji-chang. Simulation of the molecular composition of residue based on structure oriented lumping concept[J]. Petrochemical Technology & Application, 2012, 30(5): 387-392 |
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| Authors: | TIAN Li-da SHEN Ben-xian LIU Ji-chang |
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| Affiliation: | TIAN Li - da, SHEN Ben - xian, LIU Ji - chang (State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China) |
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| Abstract: | Based on the method of structure orien- ted lumping,a method to simulate molecular compo- sition of residue was established by 22 structure vec- tors describing residue molecules and the combina- tion of molecular property lumping data with simula- tion annealing algorithm.The results showed that all the residue molecules were made up of 7 004 kinds of molecular lumps. The simulated values of average physical properties of residue coincided well with measured values, and the results could be used to re- present the real residue. |
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| Keywords: | structure oriented lumping structure vector molecular composition simulation residue simulation annealing algorithm |
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