正己烷–异丙醇共沸体系液液相平衡数据测定及关联

doi:10.11949/0438-1157.20191001

化工学报 ›› 2020, Vol. 71 ›› Issue (7): 3009-3017.DOI: 10.11949/0438-1157.20191001

正己烷–异丙醇共沸体系液液相平衡数据测定及关联

杨冲^1,²(),林旭枫^1,²,张金锋^1,²,陈宏^1,²,肖业鹏^1,²,王慧^1,²,程丽华^1,²(),欧阳新平³

^1.广东石油化工学院化学工程学院，广东茂名 525000
^2.广东石油化工学院广东省石油化工腐蚀与安全工程技术研究中心，广东茂名 525000
^3.华南理工大学化学与化工学院，广东广州 510640

收稿日期:2019-09-06 修回日期:2020-04-27 出版日期:2020-07-05 发布日期:2020-07-05
通讯作者: 程丽华
作者简介:杨冲(1988—)，男，博士，讲师，yangcgh@163.com
基金资助:
广东省普通高校青年创新人才类项目(2018KQNCX164);广东省科技创新战略专项(2018S00148);广东石油化工学院科研基金项目(2018rc53);广东石油化工学院大学生创新创业培育计划项目(733130)

Measurement and correlation of liquid-liquid equilibrium data for n-hexane- isopropanol azeotropic system

Chong YANG^1,²(),Xufeng LIN^1,²,Jinfeng ZHANG^1,²,Hong CHEN^1,²,Yepeng XIAO^1,²,Hui WANG^1,²,Lihua CHENG^1,²(),Xinping OUYANG³

^1.College of Chemical Engineering, Guangdong University of Petrochemical Technology, Maoming 525000, Guangdong, China
^2.Guangdong Provincial Engineering Technology Research Center of Petrochemical Corrosion and Safety，Guangdong University of Petrochemical Technology, Maoming 525000, Guangdong, China
^3.School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, Guangdong, China

Received:2019-09-06 Revised:2020-04-27 Online:2020-07-05 Published:2020-07-05
Contact: Lihua CHENG

摘要/Abstract

摘要：

为了给溶剂萃取分离正己烷–异丙醇混合物的过程设计和流程模拟计算提供基础数据，以二甲亚砜、1,4-丁二醇、1,2-丙二醇、乙腈、糠醛和N,N-二甲基甲酰胺为萃取剂，测定了30℃下萃取分离正己烷–异丙醇混合物的液液相平衡数据，并利用分离因子评价不同萃取剂的萃取分离性能。根据Hand方程对实验数据进行一致性和可靠性检验，拟合方程的相关系数都在0.98以上。随后，采用Aspen Plus软件选取NRTL活度系数模型对相平衡数据进行关联，得到相应的二元交互作用参数，并以此计算相应的相平衡组成。结果显示，计算值和实验值的均方根偏差小于1.0%，表明NRTL模型能够准确描述三元体系的液液相平衡。

关键词: 相平衡, 正己烷, 异丙醇, 共沸物, 溶剂萃取, NRTL模型

Abstract:

To provide basic data for the process design and process simulation calculation of solvent extraction and separation of n-hexane-isopropanol mixture, experimental liquid-liquid equilibrium (LLE) data for separation of isopropanol from n-hexane were measured at 30℃ under atmospheric pressure by using dimethyl sulfoxide, 1,4-butanediol, 1,2-propanediol, acetonitrile, furfural and N,N-dimethylformamide as extractants, respectively. The extraction properties of these selected solvents were assessed by the separation factor based on the experimental LLE data. It was found that separation factor were all higher than 1 with above solvents, corroborating that it is feasible to extract isopropanol from n-hexane using the selected extractants. The consistency and reliability of the experimental data were appraised using the Hand equation, and the correlation coefficients of fitting equations were all above 0.98. Furthermore, the non-random two liquids (NRTL) activity coefficient model in Aspen Plus software was utilized to correlate the experimental tie-line compositions, in which the binary interaction parameters between the components were acquired. Subsequently, the corresponding values of phase equilibrium were calculated and compared with the experimental data. As a result, the root mean square deviation (RMSD) between the calculated and experimental compositions was below 1.0%, indicating that the NRTL model can accurately describe the liquid-liquid phase equilibrium of the ternary system.

Key words: phase equilibria, n-hexane, isopropanol, azeotrope, solvent extraction, NRTL model

中图分类号:

O 642.4

杨冲, 林旭枫, 张金锋, 陈宏, 肖业鹏, 王慧, 程丽华, 欧阳新平. 正己烷–异丙醇共沸体系液液相平衡数据测定及关联[J]. 化工学报, 2020, 71(7): 3009-3017.

Chong YANG, Xufeng LIN, Jinfeng ZHANG, Hong CHEN, Yepeng XIAO, Hui WANG, Lihua CHENG, Xinping OUYANG. Measurement and correlation of liquid-liquid equilibrium data for n-hexane- isopropanol azeotropic system[J]. CIESC Journal, 2020, 71(7): 3009-3017.

图/表 23

参考文献 32

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试剂名称	CAS^①	纯度/%(mass)	生产厂家
正己烷	110-54-3	＞99	上海阿拉丁生化科技股份有限公司
异丙醇	67-63-0	≥99.7	国药集团化学试剂有限公司
二甲亚砜	67-68-5	≥99.0	国药集团化学试剂有限公司
1,4-丁二醇	110-63-4	≥99.0	国药集团化学试剂有限公司
1,2-丙二醇	57-55-6	≥99.0	国药集团化学试剂有限公司
乙腈	75-05-8	≥99.0	国药集团化学试剂有限公司
糠醛	98-01-1	≥99.0	国药集团化学试剂有限公司
N,N-二甲基甲酰胺	68-12-2	≥99.5	国药集团化学试剂有限公司
1,4-二氧六环	123-91-1	≥99.0	上海阿拉丁生化科技股份有限公司
无水乙醇	64-17-5	≥99.7	广州市东红实业发展有限公司
氢气	——	99.999	茂名市民兴气体有限公司

试剂名称	CAS^①	纯度/%(mass)	生产厂家
正己烷	110-54-3	＞99	上海阿拉丁生化科技股份有限公司
异丙醇	67-63-0	≥99.7	国药集团化学试剂有限公司
二甲亚砜	67-68-5	≥99.0	国药集团化学试剂有限公司
1,4-丁二醇	110-63-4	≥99.0	国药集团化学试剂有限公司
1,2-丙二醇	57-55-6	≥99.0	国药集团化学试剂有限公司
乙腈	75-05-8	≥99.0	国药集团化学试剂有限公司
糠醛	98-01-1	≥99.0	国药集团化学试剂有限公司
N,N-二甲基甲酰胺	68-12-2	≥99.5	国药集团化学试剂有限公司
1,4-二氧六环	123-91-1	≥99.0	上海阿拉丁生化科技股份有限公司
无水乙醇	64-17-5	≥99.7	广州市东红实业发展有限公司
氢气	——	99.999	茂名市民兴气体有限公司

仪器名称	型号	生产厂家
气相色谱仪	GC9790	浙江福立分析仪器有限公司
电子天平	CP512	广州泸瑞明仪器有限公司
低温恒温水槽	DC-3010	上海比朗仪器制造有限公司
烘箱	DHG-9076A	上海精宏实验设备有限公司
磁力搅拌器	FK-2A	腾科科学仪器有限公司
微量进样器	1 μl	上海高鸽工贸有限公司

仪器名称	型号	生产厂家
气相色谱仪	GC9790	浙江福立分析仪器有限公司
电子天平	CP512	广州泸瑞明仪器有限公司
低温恒温水槽	DC-3010	上海比朗仪器制造有限公司
烘箱	DHG-9076A	上海精宏实验设备有限公司
磁力搅拌器	FK-2A	腾科科学仪器有限公司
微量进样器	1 μl	上海高鸽工贸有限公司

Extraction phase			Raffinate phase			S
w₁	w₂	w₃	w₁	w₂	w₃	S
0.0182	0	0.9818	0.9984	0	0.0016	—
0.0246	0.0518	0.9236	0.9818	0.0026	0.0156	795.14
0.0429	0.1040	0.8531	0.9757	0.0064	0.0179	369.58
0.0630	0.1566	0.7804	0.9644	0.0118	0.0238	203.15
0.0888	0.1998	0.7114	0.9505	0.0187	0.0308	114.36
0.1104	0.2409	0.6487	0.9410	0.0271	0.0319	75.77
0.1675	0.2691	0.5634	0.9086	0.0414	0.0500	35.26
0.2272	0.2953	0.4775	0.8825	0.0592	0.0583	19.38

正己烷–异丙醇共沸体系液液相平衡数据测定及关联

Measurement and correlation of liquid-liquid equilibrium data for n-hexane- isopropanol azeotropic system

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参考文献 32

相关文章 15

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System	a	b	R²
n-hexane-isopropanol-dimethyl sulfoxide	1.5843	0.7391	0.9947
n-hexane-isopropanol-1,4-butanediol	1.7891	0.7805	0.9842
n-hexane-isopropanol-1,2-propanediol	1.2155	0.6371	0.9929
n-hexane-isopropanol-acetonitrile	1.0470	0.7584	0.9920
n-hexane-isopropanol-furfural	0.0981	0.7197	0.9947
n-hexane-isopropanol-N,N-dimethylformamide	0.7054	0.7461	0.9991

Solvent	i	j	Δg_ij/ (J·mol^-1)	Δg_ji/ (J·mol^-1)	α_ij	RMSD/%
dimethyl sulfoxide	1	2	-56284.05	968.83	0.20	0.18
	1	3	6854.25	6761.20	0.20
	2	3	-1112.04	-63742.32	0.30
1,4-butanediol	1	2	1068.26	5991.22	0.20	0.94
	1	3	15068.36	9058.82	0.29
	2	3	-5312.66	4087.68	0.20
1,2-propanediol	1	2	1381.50	4668.83	0.20	0.65
	1	3	13203.53	9005.39	0.30
	2	3	-4250.53	3503.82	0.40
acetonitrile	1	2	-2156.02	11393.89	0.20	0.37
	1	3	5242.92	4668.25	0.30
	2	3	-3200.37	2489.72	0.40
furfural	1	2	-3222.48	5342.67	0.20	0.38
	1	3	5330.74	4750.76	0.30
	2	3	-2225.34	-1745.79	0.30
N,N-dimethylformamide	1	2	-946.20	13600.58	0.20	0.25
	1	3	4290.41	5929.85	0.30
	2	3	-5841.67	10715.00	0.30

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Extraction phase			Raffinate phase			S
w₁	w₂	w₃	w₁	w₂	w₃	S
0.0171	0	0.9829	0.9998	0	0.0002	—
0.0220	0.0572	0.9208	0.9949	0.0037	0.0014	699.12
0.0297	0.1149	0.8554	0.9925	0.0068	0.0007	564.66
0.0350	0.1673	0.7977	0.9860	0.0124	0.0016	380.09
0.0589	0.2721	0.6690	0.9698	0.0253	0.0049	177.08
0.0763	0.3185	0.6052	0.9449	0.0436	0.0115	90.47
0.1007	0.3665	0.5328	0.9324	0.0542	0.0134	62.61
0.1281	0.4035	0.4684	0.9108	0.0739	0.0153	38.82
0.1678	0.4353	0.3969	0.8530	0.1196	0.0274	18.50

Extraction phase			Raffinate phase			S
w₁	w₂	w₃	w₁	w₂	w₃	S
0.0171	0	0.9829	0.9998	0	0.0002	—
0.0220	0.0572	0.9208	0.9949	0.0037	0.0014	699.12
0.0297	0.1149	0.8554	0.9925	0.0068	0.0007	564.66
0.0350	0.1673	0.7977	0.9860	0.0124	0.0016	380.09
0.0589	0.2721	0.6690	0.9698	0.0253	0.0049	177.08
0.0763	0.3185	0.6052	0.9449	0.0436	0.0115	90.47
0.1007	0.3665	0.5328	0.9324	0.0542	0.0134	62.61
0.1281	0.4035	0.4684	0.9108	0.0739	0.0153	38.82
0.1678	0.4353	0.3969	0.8530	0.1196	0.0274	18.50

Extraction phase			Raffinate phase			S
w₁	w₂	w₃	w₁	w₂	w₃	S
0.0208	0	0.9792	1	0	< 1.0^-4	—
0.0316	0.0726	0.8958	0.9953	0.0034	0.0013	672.55
0.0467	0.1358	0.8175	0.9894	0.0083	0.0023	346.64
0.0677	0.1962	0.7361	0.9794	0.0157	0.0049	180.79
0.0947	0.2462	0.6591	0.9614	0.0277	0.0109	90.23
0.1185	0.2920	0.5895	0.9356	0.0452	0.0192	51.01
0.1654	0.3265	0.5081	0.8984	0.0696	0.0320	25.48
0.2669	0.3711	0.3620	0.7995	0.1364	0.0641	8.15

Extraction phase			Raffinate phase			S
w₁	w₂	w₃	w₁	w₂	w₃	S
0.0208	0	0.9792	1	0	< 1.0^-4	—
0.0316	0.0726	0.8958	0.9953	0.0034	0.0013	672.55
0.0467	0.1358	0.8175	0.9894	0.0083	0.0023	346.64
0.0677	0.1962	0.7361	0.9794	0.0157	0.0049	180.79
0.0947	0.2462	0.6591	0.9614	0.0277	0.0109	90.23
0.1185	0.2920	0.5895	0.9356	0.0452	0.0192	51.01
0.1654	0.3265	0.5081	0.8984	0.0696	0.0320	25.48
0.2669	0.3711	0.3620	0.7995	0.1364	0.0641	8.15