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2020 Vol.37 Issue.4,Published 2020-07-15

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2020 Vol. 37 (4): 0-0 [Abstract] ( 3192 ) [HTML 1KB] [ PDF 683KB] ( 1578 )
1 Degradation of Aniline by Dissolved Oxygen Catalyzed by Fe(Ⅱ)/Sulfite System
Lin Yiying, Song Baodong
Oxidation of aniline by dissolved oxygen (DO) catalyzed by the Fe(Ⅱ)/sulfite system was investigated in this study, and the oxidizing species involved in the oxidation process were also explored. The results showed that pH 4.0 and the molar ratio of sulfite to Fe(Ⅱ) of 10:1 were the optimal experimental conditions for aniline degradation, and 70% aniline could be removed. Fe(Ⅱ) plays an important role in the catalytic oxidation of aniline, and the removal efficiency of aniline was less than 30% in the presence of sulfite alone, and the reaction time was also prolonged from 90 min to 40 h. In the Fe(Ⅱ)/sulfite system, all Fe(Ⅱ) would be oxidized to Fe(Ⅲ) at pH 3.0, while Fe(Ⅱ) and Fe(Ⅲ) mostly existed in the complexed forms except pH 3.0. Quenching experiments in the presence of tert-butyl alcohol and methanol further confirmed that the SO4·- was the main oxidation species and SO5·- was the secondary oxidation species. This finding enriches our understanding on the degradation of organic pollutants by DO and the Fe(Ⅱ)/sulfite system, indicating that it has a wide application prospect in the treatment of organic industrial wastewater.

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2020 Vol. 37 (4): 1-6 [Abstract] ( 3151 ) [HTML 1KB] [ PDF 2069KB] ( 1595 )
7 Catalytic Synthesis of 4-Acetamidobenzenesulfinic Acid by Ionic Liquids in One Step
Liang Xiaotong, Li Guobing, Shen Jinghua, Zhang Xubin
Ionic liquids, as a new kind of green catalysts with excellent solvent performance and catalytic activity, have been widely used in various reactions. A new one-step synthesis process of 4-acetamidobenzenesulfinic acid using acetanilide and SO2 has been developed in this article. Ionic liquid acts as both solvents and catalysts in the reaction. The one-step synthesis of 4-acetamidobenzenesulfinic acid from various ionic liquids are investigated. Triethylamine hydrochloride/AlCl3 is selected as the optimum ionic liquid. The effects of the molar ratio of triethylamine hydrochloride/AlCl3, reaction temperature and reaction time on its catalytic performance are further investigated. The real active component of ionic liquids in the reaction is[Al2Cl7]-. The optimum reaction conditions for the synthesis of 4-acetamidobenzenesulfinic acid catalyzed by ionic liquids in one step are as follows:reaction temperature 90℃, reaction time 4 h, triethylamine hydrochloride/AlCl3 molar ratio 0.55:1.00 (denoted as 0.55Et3NHCl/AlCl3). Under the optimum reaction conditions, the liquid yield reached 89.55%. The target product is analyzed by IR, LC-MS and 1H NMR.

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2020 Vol. 37 (4): 7-14 [Abstract] ( 3160 ) [HTML 1KB] [ PDF 2125KB] ( 1938 )
15 Experimental Research on Heat Transfer Enhancement of Reciprocating Spiral-Inserts in Falling Film Evaporator Tubes
Peng Deqi, Hou Jiaxin, Chen Kang, Wu Shuying, Yu Tianlan
In order to effectively solve the problems of heat transfer and fouling in the heat exchange tube, a new heat transfer enhancement technique with reciprocating spiral-inserts in falling film evaporator tubes was proposed. It can improve the spiral movement inside the tubes and the collision situation between the spiral and tube wall. The influences of the structure parameters and the reciprocating stroke of the spiral, the process parameters such as the heat flux, the evaporation pressure and the fluid spraying density on the heat transfer performance of the falling film evaporation process were studied experimentally. The results show that the anti-fouling effect and heat transfer performance of the proposed technique are better than those of empty tube and simple spiral-insert. With the spiral outer diameter 30 mm, pitch 45 mm, wire diameter 1.8 mm and the reciprocating stroke 100 mm, the overall heat transfer coefficient is 2.08 times and 1.26 times of that of empty tube and the tube with simple spiral-insert respectively. The correlation of falling film evaporation heat transfer coefficient related to heat flux, evaporation pressure and spraying density are obtained through further data analysis.

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2020 Vol. 37 (4): 15-22 [Abstract] ( 3451 ) [HTML 1KB] [ PDF 3010KB] ( 1492 )
23 Extraction of Phenolic Compounds from Model Oil with Glycol-Urea Composite Extractant
Liu Qian, He Tianqi, Liu Xiaohan, Li Lanxin, Wang Zhenya, Zhang Xiang, Fu Qiyan, Han Mengxing, Zhang Xianglan
The products of direct liquefaction of coal contain a large number of phenolic compounds and other oxygenated or nitrogenous compounds, which have direct impacts on the extraction and separation of phenols. In this paper, glycol-urea composite extractant was used as extractant, the effects of urea content in extractant, stirring time, static time, temperature and extractant usage on the extraction of phenols in the model oil were investigated. The effects of acetophenone, indole and pyridine on the separation of phenols were also investigated. The results showed that the extraction effect of m-cresol by glycol-urea composite extractant is significantly better than urea. When the stirring time was 20 min and the static time was 10 min, the extraction equilibrium could be reached. The increase of temperature was not conducive to extraction. Extraction efficiency of m-cresol increased first and then stabilized with the increase of extractant usage. The extraction efficiency of m-cresol could reach 99.2% at 25℃ and the mass ratio of extractant to model oil was 1:1. Adding acetophenone, indole, and pyridine to the model oil will reduce the extraction efficiency of m-cresol. Compared to acetophenone and indole, pyridine has the greatest effect on the separation of m-cresol, which can reduce the m-cresol extraction to 71.6%.

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2020 Vol. 37 (4): 23-29 [Abstract] ( 3136 ) [HTML 1KB] [ PDF 1928KB] ( 1848 )
30 Prediction of Azeotropic Temperature and Composition of Binary Azeotrope Containing Water Based on Quantitative Structure-Property Relationship
Zeng Xingyan, Zhu Lin, Lü Liping, Li Bing
Several prediction models based on quantitative structure-property relationship, which was performed for estimating azeotropic temperature and composition of 125 binary azeotropes containing water at 101.325 kPa, were established. First of all, the three-dimensional molecular structure of each pure component was plotted by HyperChem 8.0 software, meanwhile the pre-optimization and further optimization of the molecular structure were implemented by the molecular mechanics method and the quantum mechanics semi-empirical method, respectively. Besides, the stable structures with minimum energy were imported into Material Studio 8.0 software to calculate descriptors. Moreover, the feature descriptors which were most associated with azeotropic temperature or composition were selected by genetic algorithm. Then, the azeotropic temperature and composition prediction models were built by using multiple linear regression methods. In the last place, the established optimal model was internally validated, externally validated, applied domain analyzed, compared with similar models in the literature and UNIFAC group contribution method. The results show that the optimal azeotropic temperature and composition prediction model that was made up of 8/5 feature descriptors, which multiple correlation coefficient, adjusted multiple correlation coefficient, root mean square errors, mean absolute deviation, leave-one-out cross-validation coefficient and external validation coefficient were 0.960 6/0.997 0, 0.957 2/0.996 9, 2.94/0.016 1, 1.89/0.010 4, 0.947 5/0.995 7 and 0.943 9/0.997 6,respectively, and the established optimal models were provided with more excellent stability, favorable generalization and fantastic predictive than the similar models.

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2020 Vol. 37 (4): 30-39 [Abstract] ( 3066 ) [HTML 1KB] [ PDF 3125KB] ( 1499 )
40 Study on Solubility and Crystal Habit of Isoniazid in Various Organic Solvents
Chen Jian, Zhang Yu, Ouyang Jinbo, Han Fangze
The solubility of isoniazid in methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, acetone, acetonitrile, methyl acetate, and butyl acetate, was determined by in-situ turbidity method in the range of 283.15-323.25 K. Data showed that the solubility of isoniazid increased with the increase of temperature. At the same temperature, isoniazid is most soluble in methanol, followed by acetone, ethanol, n-propanol, isopropanol, methyl acetate, isobutanol, n-butanol, acetonitrile, and butyl acetate. Solubility data in all solvents were correlated with the temperature by using the modified Apelblat, Wilson, and NRTL models, and the results were in good agreement with the experimental data. Based on the solubility data, the dissolution thermodynamic properties of isoniazid, including enthalpy of dissolution, entropy of dissolution, Gibbs energy of dissolution, were calculated. The results showed that the dissolution process of isoniazid is endothermic and entropy-increasing. Finally, methanol, ethanol, n-propanol, and acetone, were selected to analyze the influence of solvents on the crystal habit of isoniazid during the cooling crystallization process, and ethanol was determined to be a suitable solvent for the cooling crystallization of isoniazid.

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2020 Vol. 37 (4): 40-48 [Abstract] ( 3099 ) [HTML 1KB] [ PDF 2150KB] ( 2898 )
49 Simulation Analysis of Heating Effect of a Microwave Reactor with Interlayer Tank
Nie Guoyu, Jin Guangyuan, Wu Yanze, Cui Zhengwei
A microwave oven with interlayer was designed for the problem of heating heterogeneity in microwave reactor. The multi-physics simulation method was used to explore the influence of waveguide position and interlayer thickness on heating efficiency and heating uniformity. The results show that the waveguide position can generally achieve higher heating efficiency under the liquid level of the material, but the heating uniformity is poor; and the interlayer can effectively improve the heating uniformity of the reactor and, in some cases, increase the heating efficiency. The response surface methodology (RSM) was used and the maximum heating efficiency of the optimized up to 99.19%, the waveguide height with the best heating uniformity is 389.74 mm, and the interlayer thickness is 30.09 mm.

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2020 Vol. 37 (4): 49-57 [Abstract] ( 3445 ) [HTML 1KB] [ PDF 3504KB] ( 1642 )
58 Application of an Improved Genetic Algorithm in the Design of Batch Chemical Process
Wei Liangxiao, Zhang Ting, Dang Leping, Hao Lin
Optimizing management and design of production process is a top priority for all chemical factories to remain competitive in the global market. This paper proposed a model to reduce investment and improve equipment utilization of single product batch process. This model is implemented by combining genetic algorithm (GA) and heuristic method. Compared to general heuristic method, this model has a larger search space and higher precision, which makes it more suitable for solving complex problems. The self-optimization mechanism and punishment operation have been introduced to modify the inferior gene in the population in time, making the population survive smoothly. It is shown that the model has a better performance in terms of calculation results, convergence rate and calculation speed.

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2020 Vol. 37 (4): 58-65 [Abstract] ( 3119 ) [HTML 1KB] [ PDF 2852KB] ( 1282 )
66 Numerical Simulations of Flow Field in Ethylene Slurry Polymerization Reactor Based on CFD
Lü Shijun
In this paper, the CFD tool is used to simulate the flow field in a 100 000 t/a stirred tank slurry high density polyethylene (HDPE) reactor, and the distribution of the flow field in a slurry reactor with industrial diameter of 4 350 mm was obtained. At the same time, the effect of increasing the external circulation of slurry, which aims to remove heat, on the flow field in the reactor is also investigated. The results show that the external circulation has little effect on the whole flow field inside the reactor, but it can improve the flow field in the bottom of reactor. These results provide basis and support for the design of larger scale slurry reactor.

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2020 Vol. 37 (4): 66-72 [Abstract] ( 3129 ) [HTML 1KB] [ PDF 6389KB] ( 2005 )
73 Progress in the Application of Redox-Targeting-Based Flow Batteries
Cai Xinghua, Huang Chengde
The flow battery is a relatively mature energy storage system, but the energy density is affected by the solubility of the active material, and the resulting low energy density limits its wide application. In order to promote the rapid development of the flow battery without affecting the relevant characteristics of the original flow battery, this paper introduces the redox target reaction proposed for this defect in detail, the working principle of redox target reaction is briefly described, and the research on the combination of this principle and flow battery in recent years is briefly introduced, and the innovations are pointed out, at the same time, this paper puts forward the problems and development directions in the practical application of this principle.

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2020 Vol. 37 (4): 73-79 [Abstract] ( 3371 ) [HTML 1KB] [ PDF 2008KB] ( 1973 )
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