| 基于结构导向集总的石油馏分分子重构模型 |
| 邱彤, 陈金财, 方舟 |
| 清华大学 化学工程系, 北京 100084 |
| Molecular reconstruction model for petroleum fractions based on structure oriented lumping |
| QIU Tong, CHEN Jincai, FANG Zhou |
| Department of Chemical Engineering, Tsinghua University, Beijing 100084, China |
摘要:
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| 摘要为了对石油馏分进行分子层面的研究,从而实现炼油过程的分子管理,该文在结构导向集总模型的基础上提出了一种新的石油馏分分子重构模型。首先,模型选取了22个基本结构并对相关约束条件进行了设定。然后,利用Monte Carlo方法随机生成1000个虚拟分子。最后,根据信息熵最大化原则调整虚拟分子含量。将此模型应用于石油馏分的分子重构,各项性质的计算结果与实验标定数据的相对误差小于3%。 | |||
| 关键词 ：结构导向集总,石油馏分,分子重构,Monte Carlo模拟 | |||
| Abstract：A molecular reconstruction method is given based on a structure oriented lumping model to predict petroleum fractions at the molecular level to achieve molecular management of refining processes. 22 basic structures were selected with relevant constraints. Then, 1 000 virtual molecules were constructed by the Monte Carlo method. Finally, the virtual molecules were adjusted according to the entropy maximization principle. The molecular reconstruction method predicts the petroleum fractions with relative errors between the properties and calibration data less than 3%. | |||
| Key words：structure oriented lumpingpetroleum fractionmolecular reconstructionMonte Carlo simulation | |||
| 收稿日期: 2015-08-28 出版日期: 2016-05-09 | |||
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| 引用本文: |
| 邱彤, 陈金财, 方舟. 基于结构导向集总的石油馏分分子重构模型[J]. 清华大学学报（自然科学版）, 2016, 56(4): 424-429. QIU Tong, CHEN Jincai, FANG Zhou. Molecular reconstruction model for petroleum fractions based on structure oriented lumping. Journal of Tsinghua University(Science and Technology), 2016, 56(4): 424-429. |
| 链接本文: |
| http://jst.tsinghuajournals.com/CN/10.16511/j.cnki.qhdxxb.2016.24.014或 http://jst.tsinghuajournals.com/CN/Y2016/V56/I4/424 |
图表:
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| 表１ 本文２种减压蜡油的性质 |
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| 表２ 虚拟分子的结构向量 |
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| 表３ 优化得到的结构分布参数(大连VGO) |
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| 表４ 优化得到的结构分布参数(苏丹VGO) |
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| 图１ 基于信息熵理论的分子组成求解框图 |
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| 表５ 标定值和计算值的对比(大连VGO) |
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| 表６ 标定值和计算值的对比(苏丹VGO) |
参考文献:
| [1] PENG Bin. Molecular Modeling of Petroleum Processes[D]. Manchester, UK:Institute of Science and Technology of the University of Manchester, 1999. [2] Gomez-Prado J, ZHANG Nan, Theodoropoulos C. Characterization of heavy petroleum fractions using modified molecular-type homologous series (MTHS) representation[J]. Energy, 2008, 33(6):974-987. [3] Hudebine D, Verstraete J J. Molecular reconstruction of LCO gasoils from overall petroleum analyses[J]. Chemical Engineering Science, 2004, 59P(22-23):4755-4763. [4] 彭辉, 张磊, 邱彤, 等. 乙烯裂解原料等效分子组成的预测方法[J]. 化工学报, 2011(12):3447-3451.PENG Hui, ZHANG Lei, QIU Tong, et al. Method of predicting equimolecular mixture of ethylene cracking feedstock[J]. CIESC Journal, 2011(12):3447-3451. (in Chinese) [5] Ghosh P, Hickey K J, Jaffe S B. Development of a detailed gasoline composition-based octane model[J]. Industrial & Engineering Chemistry Research, 2006, 45(1):337-345. [6] Ghosh P. Predicting the effect of cetane improvers on diesel fuels[J]. Energy & Fuels, 2008, 22(2):1073-1079. [7] Quann R J, Jaffe S B. Structure-oriented lumping:describing the chemistry of complex hydrocarbon mixtures[J]. Industrial & Engineering Chemistry Research, 1992, 31(11):2483-2497. [8] 韩崇仁. 加氢裂化工艺与工程[M]. 第一版. 北京:中国石化出版社, 2006.HAN Chongren. The Craft and Engineering of Hydrocracking[M]. 1st Ed. Beijing:China Petrochemical Press, 2006. [9] 方向晨. 加氢裂化[M]. 第一版. 北京:中国石化出版社, 2012. FANG Xiangchen. Hydrocracking[M]. 1st Ed. Beijing:China Petrochemical Press, 2012. [10] Shannon C E. A mathematical theory of communication[J]. Bell System Technical Journal, 1948, 27(3):379-423. |
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