Molecular reconstruction model for petroleum fractions based on structure oriented lumping

doi:10.16511/j.cnki.qhdxxb.2016.24.014

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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%.

Keywords structure oriented lumping petroleum fraction molecular reconstruction Monte Carlo simulation

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Issue Date: 15 April 2016

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	QIU Tong
	CHEN Jincai
	FANG Zhou

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QIU Tong,CHEN Jincai,FANG Zhou. Molecular reconstruction model for petroleum fractions based on structure oriented lumping[J]. Journal of Tsinghua University(Science and Technology), 2016, 56(4): 424-429.

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http://jst.tsinghuajournals.com/EN/10.16511/j.cnki.qhdxxb.2016.24.014 OR http://jst.tsinghuajournals.com/EN/Y2016/V56/I4/424

[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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