化工学报 ›› 2022, Vol. 73 ›› Issue (12): 5449-5460.DOI: 10.11949/0438-1157.20221231
收稿日期:
2022-09-09
修回日期:
2022-10-17
出版日期:
2022-12-05
发布日期:
2023-01-17
通讯作者:
孙晓岩
作者简介:
李怀旭(1997—),男,硕士研究生,2438906689@qq.com
基金资助:
Huaixu LI(), Xiaoyan SUN(), Shaohui TAO, Li XIA, Shuguang XIANG
Received:
2022-09-09
Revised:
2022-10-17
Online:
2022-12-05
Published:
2023-01-17
Contact:
Xiaoyan SUN
摘要:
随着石油分子管理技术的进步,石油及其下游的汽油等产品逐渐以其真实分子组成进行表征。而油品的分子表征在带来更详实信息的同时,也导致炼油过程模拟与优化模型的规模和计算量急剧上升。针对这一问题,应用无须事先确定类别数的密度峰聚类技术,并基于真实组分的热力学性质对油品进行集总,从而以少量虚拟组分对产品油进行充分表征。针对某装置的脱硫汽油集总结果表明,所提出的密度峰聚类集总方法极大地降低了表征汽油产品的分子数目,并在保证模拟精度的同时,有效地提高了汽油分馏塔的模拟计算效率。
中图分类号:
李怀旭, 孙晓岩, 陶少辉, 夏力, 项曙光. 基于分子热力学性质和密度峰聚类的脱硫汽油集总[J]. 化工学报, 2022, 73(12): 5449-5460.
Huaixu LI, Xiaoyan SUN, Shaohui TAO, Li XIA, Shuguang XIANG. Lumping gasoline with molecular properties and density peak clustering[J]. CIESC Journal, 2022, 73(12): 5449-5460.
图4 计算精度与组分分配情况随集总数目变化的示意图M, S—增加的集总数目; v, r, z—真实子组分
Fig.4 Schematic diagram of the variation of calculation accuracy and component distribution with the number of lumps
Molecular formula | Component | MW (28—162) | Tb /K (169—517) | Pc /MPa (2.11—5.69) | Tc/K (282—772) | (0.08—0.5) |
---|---|---|---|---|---|---|
C12H26 | dodecane | 170.34 | 489.47 | 1.82 | 658.00 | 0.57 |
C12H8S | dibenzothiophene | 184.26 | 604.61 | 3.86 | 897.00 | 0.40 |
C12H18 | 1,4-diisopropylbenzene | 162.27 | 483.65 | 2.45 | 689.00 | 0.39 |
表1 离群组分的部分性质
Table 1 Partial properties of outlier components
Molecular formula | Component | MW (28—162) | Tb /K (169—517) | Pc /MPa (2.11—5.69) | Tc/K (282—772) | (0.08—0.5) |
---|---|---|---|---|---|---|
C12H26 | dodecane | 170.34 | 489.47 | 1.82 | 658.00 | 0.57 |
C12H8S | dibenzothiophene | 184.26 | 604.61 | 3.86 | 897.00 | 0.40 |
C12H18 | 1,4-diisopropylbenzene | 162.27 | 483.65 | 2.45 | 689.00 | 0.39 |
Center component/pseudo-components | MW | Tb/K | Pc/MPa | Tc/K | |
---|---|---|---|---|---|
cis-2-butene / PC1 | 56.11 / 57.90 | 276.87 / 275.98 | 4.21 / 4.24 | 435.50 / 440.22 | 0.20 / 0.16 |
cis-2-pentene / PC2 | 70.13 / 71.24 | 310.08 / 305.00 | 3.64 / 3.19 | 475.00 / 463.04 | 0.24 / 0.23 |
cis-3-hexene / PC3 | 84.16 / 87.78 | 339.60 / 347.87 | 3.17 / 3.27 | 509.00 / 526.40 | 0.28 / 0.25 |
3-methylheptane / PC4 | 114.23 / 114.17 | 392.08 / 391.78 | 2.55 / 2.68 | 563.60 / 571.37 | 0.37 / 0.33 |
2,2-dimethyloctane / PC5 | 142.28 /142.26 | 430.05 / 438.46 | 2.16 / 2.23 | 602.00 / 617.68 | 0.43 / 0.41 |
(1S,3S)-1,2,3-trimethylcyclopentane / PC6 | 112.22 / 117.14 | 390.35 / 418.68 | 2.90 / 3.16 | 579.82 / 630.26 | 0.28 / 0.30 |
1,4-dimethyl-2-ethylbenzene / PC7 | 134.22 / 134.15 | 459.98 / 467.90 | 2.88 / 3.38 | 663.00 / 700.67 | 0.41 / 0.31 |
2-hexene, 4-methyl-,(2Z)- / PC8 | 98.19 / 103.08 | 359.22 / 391.82 | 2.99 / 3.52 | 527.40 / 595.92 | 0.34 / 0.26 |
2,5-dimethylheptane / PC9 | 128.26 / 127.79 | 407.10 / 414.78 | 2.36 / 2.53 | 580.70 / 632.40 | 0.38 / 0.37 |
1-ethyl-2-propylbenzene / PC10 | 148.25 / 156.89 | 473.94 / 479.27 | 2.57 / 2.35 | 672.00 / 677.56 | 0.44 / 0.42 |
表2 中心组分与对应的虚拟组分的部分性质
Table 2 Partial properties of center components and corresponding pseudo-components
Center component/pseudo-components | MW | Tb/K | Pc/MPa | Tc/K | |
---|---|---|---|---|---|
cis-2-butene / PC1 | 56.11 / 57.90 | 276.87 / 275.98 | 4.21 / 4.24 | 435.50 / 440.22 | 0.20 / 0.16 |
cis-2-pentene / PC2 | 70.13 / 71.24 | 310.08 / 305.00 | 3.64 / 3.19 | 475.00 / 463.04 | 0.24 / 0.23 |
cis-3-hexene / PC3 | 84.16 / 87.78 | 339.60 / 347.87 | 3.17 / 3.27 | 509.00 / 526.40 | 0.28 / 0.25 |
3-methylheptane / PC4 | 114.23 / 114.17 | 392.08 / 391.78 | 2.55 / 2.68 | 563.60 / 571.37 | 0.37 / 0.33 |
2,2-dimethyloctane / PC5 | 142.28 /142.26 | 430.05 / 438.46 | 2.16 / 2.23 | 602.00 / 617.68 | 0.43 / 0.41 |
(1S,3S)-1,2,3-trimethylcyclopentane / PC6 | 112.22 / 117.14 | 390.35 / 418.68 | 2.90 / 3.16 | 579.82 / 630.26 | 0.28 / 0.30 |
1,4-dimethyl-2-ethylbenzene / PC7 | 134.22 / 134.15 | 459.98 / 467.90 | 2.88 / 3.38 | 663.00 / 700.67 | 0.41 / 0.31 |
2-hexene, 4-methyl-,(2Z)- / PC8 | 98.19 / 103.08 | 359.22 / 391.82 | 2.99 / 3.52 | 527.40 / 595.92 | 0.34 / 0.26 |
2,5-dimethylheptane / PC9 | 128.26 / 127.79 | 407.10 / 414.78 | 2.36 / 2.53 | 580.70 / 632.40 | 0.38 / 0.37 |
1-ethyl-2-propylbenzene / PC10 | 148.25 / 156.89 | 473.94 / 479.27 | 2.57 / 2.35 | 672.00 / 677.56 | 0.44 / 0.42 |
图10 不同集总方法下闪蒸热负荷的绝对误差(与真实组分下的热负荷相比)比较
Fig.10 Comparison of the absolute error of the flash heat duty (compared to the heat load of the real component) of different lumped methods
图11 中心组分与虚拟组分在不同汽化分率下的闪蒸温度对比(0.1 MPa)
Fig.11 Comparison of the flash temperature of the center component and the pseudo-component at different vaporization fractions at 0.1 MPa
Pseudo-component | Tb (Pseudo-component)/K | Tb (Center component)/K | Absolute error/K |
---|---|---|---|
PC1 | 275.98 | 276.87 | 0.89 |
PC2 | 305.00 | 310.10 | 5.10 |
PC3 | 347.87 | 339.60 | 8.27 |
PC4 | 391.78 | 392.08 | 0.30 |
PC5 | 438.46 | 430.05 | 8.41 |
PC6 | 418.68 | 390.35 | 28.33 |
PC7 | 467.90 | 459.98 | 7.92 |
PC8 | 391.82 | 359.22 | 32.60 |
PC9 | 414.78 | 408.00 | 6.78 |
PC10 | 479.27 | 473.94 | 5.33 |
表3 各虚拟组分与其中心组分的沸点差距
Table 3 Boiling point gap between each pseudo-component and its center component
Pseudo-component | Tb (Pseudo-component)/K | Tb (Center component)/K | Absolute error/K |
---|---|---|---|
PC1 | 275.98 | 276.87 | 0.89 |
PC2 | 305.00 | 310.10 | 5.10 |
PC3 | 347.87 | 339.60 | 8.27 |
PC4 | 391.78 | 392.08 | 0.30 |
PC5 | 438.46 | 430.05 | 8.41 |
PC6 | 418.68 | 390.35 | 28.33 |
PC7 | 467.90 | 459.98 | 7.92 |
PC8 | 391.82 | 359.22 | 32.60 |
PC9 | 414.78 | 408.00 | 6.78 |
PC10 | 479.27 | 473.94 | 5.33 |
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