基于能量目标的芳烃萃取精馏溶剂评价模型

doi:10.11949/j.issn.0438-1157.20181005

摘要/Abstract

摘要：

以NRTL活度系数模型为基础，利用Aspen Plus对不同单组分萃取剂回收芳烃的萃取精馏装置进行了全流程模拟和工艺操作参数优化。综合考虑各操作变量及其关联，提出了基于局部耦合参数迭代优化的整体协同优化策略，在保证分离要求的条件下，以能耗为目标，对萃取精馏塔（EDC）、溶剂回收塔（ERC）的进料位置、ERC回流比等关键操作参数进行优化，建立过程能耗的物性关联模型。通过分析不同溶剂对芳烃萃取精馏过程能耗和分离效果的影响，提出了基于能耗目标的芳烃萃取精馏溶剂评价模型，结果表明影响芳烃萃取精馏过程能耗的关键物性为溶剂的分子量及常压沸点，所建立的过程能耗关联模型具有较高的关联性，其R ²均大于0.9，可有效指导萃取精馏溶剂选择，为计算机辅助分子设计提供简化的目标函数。

关键词: 萃取精馏, 热力学, 优化, 芳烃, 物性关联, 模型

Abstract:

Based on the NRTL activity coefficient model, the whole process simulation and process parameters were optimized by using Aspen Plus for extractive distillation equipment for aromatics recovery from different single component extractants. With consideration of multiple variables and their interactions, a coordinative optimization strategy was further proposed from iterative optimization of local coupling parameters. At given separation specifications, energy consumption was optimized through adjusting critical operating parameters, such as the feed stages of extractive distillation column(EDC), the feed stage of entrainer recovery column(ERC) and the reflux ratio of ERC. An energy consumption model correlated with physical properties was presented based on the energy transfer rules. A solvent evaluation model based on the energy consumption objective for aromatic extraction distillation processes was put forward through the analysis of energy consumption and separation efficiency with different solvents. The results show that the molecular weight and boiling point of solvent are the pivotal factors influencing the energy consumption of aromatics extraction distillation units. There is a high correlation of the energy consumption model with the R ² value bigger than 0.9 which can guide the selection, evaluation and design of the extracting solvent for an aromatic ED process.

Key words: extractive-distillation, thermodynamics, optimization, arene, property correlation, model

中图分类号:

TQ 028.3

汪勤, 张冰剑, 何畅, 陈清林. 基于能量目标的芳烃萃取精馏溶剂评价模型[J]. 化工学报, 2019, 70(5): 1815-1822.

Qin WANG, Bingjian ZHANG, Chang HE, Qinglin CHEN. Solvent evaluation model base on energy consumption objective for aromatic extraction distillation units[J]. CIESC Journal, 2019, 70(5): 1815-1822.

图/表 9

参考文献 32

1	范景新, 臧甲忠, 于海斌, 等 . 重芳烃轻质化研究进展[J]. 工业催化, 2015, 23(9): 666-673.
	Fan J X , Zang J Z , Yu H B , et al . Research progress in conversion of heavy aromatics to light ones[J]. Industrial Catalysis, 2015, 23(9): 666-673.
2	段然, 巩雁军, 孔德嘉, 等 . 轻烃芳构化催化剂的研究进展[J]. 石油学报(石油加工), 2013, 29(4): 726-737.
	Duan R , Gong Y J , Kong D J , et al . Development of the catalyst for light paraffins aromatization[J]. Acta Petrolei Sinica(Petroleum Processing Section), 2013, 29(4): 726-737.
3	智研咨询集团 . 2018—2024年中国PX行业市场全景评估及投资潜力研究报告[EB/OL]. 北京: 智妍咨询集团, 2018[2018-10-05]. http: // .
	Zhiyan Consultative Group . Report of Panoramic Evaluation and Investment Potential Research for PX Industry Market in China from 2018 to 2024[ EB/OL ]. Beijing: Zhiyan Consultative Group, 2018[2018-10-05]. http: // .
4	Rahimpour M R , Jafari M , Iranshahi D . Progress in catalytic naphtha reforming process: a review[J]. Appl. Energ., 2013, 109(2): 79-93.
5	韩凤山, 林克之 . 世界芳烃生产技术的发展趋势[J]. 当代石油石化, 2006, 14(5): 30-35.
	Han F S , Lin K Z . Development trends of aromatic production and technology in the world[J]. Petroleum & Petrochemical Today, 2006, 14(5): 30-35.
6	UOP . Aromatics[EB/OL]. New York: Honeywell, 2013[2018-10-05]. https: // .
7	袁天聪 . 芳烃抽提工艺评析[J].石油化工设计, 2003, 20(4): 5-8.
	Yuan T C . Summary of aromatics extraction process[J]. Petrochemical Design, 2003, 20(4): 5-8.
8	徐春明, 杨朝合, 林世雄 . 石油炼制工程[M]. 北京: 石油工业出版社, 2009: 557-569.
	Xu C M , Yang Z H , Lin S X . Petroleum Refining Engineering[M]. Beijing: Petroleum Industry Press, 2009: 557-569.
9	Ho T L , Fieser M , Fieser L . Fieser and Fieser’s Reagents for Organic Synthesis: Tetramethylene Sulfone (Sulfolane) [M]. New York: John Wiley & Sons Inc., 2006: 23.
10	Wittig R , Lohmann J , Gmehling J . Prediction of phase equilibria and excess properties for systems with sulfones[J]. AIChE J., 2010, 49(2): 530-537.
11	Wang Z R , Huang L , Xia S Q , et al . Isobaric (vapour + liquid) equilibria for sulfolane with toluene, ethylbenzene, and isopropylbenzene at 101.33 kPa [J]. J. Chem. Thermodyn., 2011, 43(12): 1865-1869.
12	Santiago R S , Aznar M . Liquid-liquid equilibria for quaternary mixtures of nonane + undecane + (benzene or toluene or m-xylene) + sulfolane at 298.15 and 313.15 K [J]. Fluid Phase Equilib., 2007, 253(2): 137-141.
13	Doulabi F S M , Mohsen-Nia M . Ternary liquid-liquid equilibria for systems of (sulfolane + toluene or chloronaphthalene + octane)[J]. J. Chem. Eng. Data, 2006, 51(4): 1431-1435.
14	Ko M , Im J , Sung J Y , et al . Liquid-liquid equilibria for the binary systems of sulfolane with alkanes[J]. J. Chem. Eng. Data, 2007, 52(4): 34-38.
15	Awwad A M , Al-Dujaili A H , Al-Haideri A M A . Liquid–liquid equilibria for pseudo-ternary systems: (sulfolane + 2-ethoxyethanol) + octane + toluene at 293.15 K[J]. Fluid Phase Equilib., 2008, 270(1/2): 10-14.
16	Wisniak J , Ortega J , Fernández L . A fresh look at the thermodynamic consistency of vapour-liquid equilibria data[J]. J. Chem. Thermodyn., 2017, 105: 385-395.
17	汪勤, 张冰剑, 何畅, 等 . 环丁砜萃取精馏过程模拟分析及工艺参数优化[J]. 化工学报, 2017, 68(5): 1969-1976.
	Wang Q , Zhang B J , He C , et al . Process simulation and optimization of sulfolane extractive distillation[J]. CIESC Journal, 68(5): 1969-1976.
18	Choi Y J , Cho K W , Cho B W , et al . Optimization of the sulfolane extraction plant based on modeling and simulation [J]. J. Chem. Eng., 2000, 17(6): 712-718.
19	Li L M , Tu Y Q , Sun L Y , et al . Enhanced efficient extractive distillation by combining heat-integrated technology and intermediate heating[J]. Ind. Eng. Chem. Res., 2016, 55(32): 8837-8847.
20	Berg L , Yeh A . Separation of m-xylene from o-xylene by extractive distillation [J]. Chem. Eng. Commun., 2012, 54(1-6): 149-159.
21	Miyano Y , Henry S . Constants and infinite dilution activity coefficients of propane, propene, butane, isobutene, 1-butene, isobutane, trans-2-butene and 1, 3-butadiene in 1-propanol at T (260 to 340) K[J]. J. Chem. Thermodyn., 2004, 36(2): 101-106.
22	Krummen M , Gmehling J . Measurement of activity coefficients at infinite dilution in N-methyl-2-pyrrolidone and N-formylmorpholine and their mixtures with water using the dilutor technique[J]. Fluid Phase Equilib., 2004, 215(2): 283-294.
23	Lek-Utaiwana P , Suphanit B , Douglas P L , et al . Design of extractive distillation for the separation of close-boiling mixtures: solvent selection and column optimization[J]. Comput. Chem. Eng., 2011, 35(6): 1088-1100.
24	Lyu Z , Zhou T , Chen L , et al . Simulation based ionic liquid screening for benzene–cyclohexane extractive separation[J]. Chem. Eng. Sci., 2014, 113(13): 45-53.
25	董文威, 傅吉全 . 苯-环己烷体系萃取精馏溶剂的计算机筛选[J]. 计算机与应用化学, 2011, 28(6): 757-760.
	Dong W W , Fu J Q . Solvents selection by using of computer in extractive distillation separation for the system of benzene - cyclohexane[J]. Computers and Applied Chemistry, 2011, 28(6): 757-760.
26	Chen B H , Lei Z G , Li Q S , et al . Application of CAMD in separating hydrocarbons by extractive distillation[J]. AIChE J., 2010, 51(12): 3114-3121.
27	Qin J W , Ye Q , Xiong X J , et al . Control of benzene-cyclohexane separation system via extractive distillation using sulfolane as entrainer [J]. Ind. Eng. Chem. Res., 2013, 52(31): 10754-10766.
28	Aniya V , De D , Satyavathi B . A comprehensive approach towards dehydration of tert-butyl alcohol by extractive distillation: entrainer selection, thermodynamic modeling and process optimization[J]. Ind. Eng. Chem. Res., 2016, 55(25): 6982-6995.
29	Kossack S , Kraemer K , Gani R , et al . A systematic synthesis framework for extractive distillation processes[J]. Chem. Eng. Res. Des., 2008, 86(7): 781–792.
30	刘家祺 . 传质分离过程[M]. 北京: 高等教育出版社, 2005: 8-21.
	Liu J Q . Separation Process of Mass Transfer[M]. Beijing: Higher Education Press, 2005: 8-21.
31	Henley E J , Seader J D , Roper D K . Separation Process Principles[M]. New York: John Wiley & Sons Inc., 2002: 46.
32	Renon H , Prausnitz J M . Local compositions in thermodynamic excess functions for liquid mixtures [J]. AIChE J., 1968, 14(1): 135-144.

溶剂组成	F _Solvent/%	T _bub/℃	ɑ_ij
无溶剂		80	0.81
环丁砜	87.8	121	4.2
环丁砜-0.8%H₂O	87.8	113	4.7
环丁砜-10%COS	87.8	125	3.6

溶剂组成	F _Solvent/%	T _bub/℃	ɑ_ij
无溶剂		80	0.81
环丁砜	87.8	121	4.2
环丁砜-0.8%H₂O	87.8	113	4.7
环丁砜-10%COS	87.8	125	3.6

设备	操作参数	值
EDC[border:border-top:solid;]	原料S2进料状态	饱和气相
	塔板数	固定值
	塔顶/底压力/MPa	0.07/0.075
ERC	塔板数	固定值
ERC	塔顶/底压力/MPa	-0.05/-0.025

设备	操作参数	值
EDC[border:border-top:solid;]	原料S2进料状态	饱和气相
	塔板数	固定值
	塔顶/底压力/MPa	0.07/0.075
ERC	塔板数	固定值
ERC	塔顶/底压力/MPa	-0.05/-0.025

溶剂	分子式	M/(g?mol^-1)	T _b/K	Q _EDCR/(GJ?h^-1)	Q _ERCR/(GJ?h^-1)	R _ERC	F _S/(kmol?h^-1)
N-methyl-2-pyrrolidone	C₅H₉NO	99.130	477.420	5.115	5.561	1.096	288.220
N,N-dimethylformamide	C₃H₇NO	73.100	425.150	5.170	5.205	1.881	362.223
N-formylmorphol	C₅H₉NO₂	115.130	513.150	5.417	9.010	1.440	242.481
triethylene glycol	C₆H₁₄O₄	150.170	561.500	5.873	13.701	1.381	193.689
tetraethylene glycol	C₈H₁₈O₅	194.230	602.700	6.180	15.707	0.248	175.638
dimethyl sulfone	C₂H₆OS	78.130	464.000	4.943	9.312	3.060	344.661
tetramethylene sulfone	C₄H₈O₂S	120.170	560.450	5.275	9.688	0.847	260.632
furfural	C₅H₄O₂	96.090	434.850	5.033	4.824	1.588	349.152
aminobenzene	C₆H₇N	93.130	457.150	5.039	10.448	3.418	272.229
methyl benzoate	C₈H₈O₂	136.150	472.650	5.256	4.810	0.708	258.181
2-pyrrolidone	C₄H₇NO	85.110	524.320	5.175	12.041	2.852	292.076
glyceryl triacetate	C₉H₁₄O₆	218.210	532.150	6.061	10.541	0.551	180.986
quinoline	C₉H₇N	129.160	510.310	5.332	6.189	0.452	254.335
benzyl acetate	C₉H₁₀O₂	150.177	487.150	5.472	4.283	14.790	230.040
phenol	C₆H₆O	94.113	454.990	5.094	14.094	4.946	275.459
N-hexyl-acetate	C₈H₁₆O₂	144.214	444.650	5.351	7.084	2.000	219.166
methyl isobutyl ketone	C₆H₁₂O	100.161	389.150	6.330	12.681	5.384	360.443