Journal of Liaoning Petrochemical University
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Gasoline Molecular Composition Prediction Based on Autoencoder Algorithm
Guangqing CAI, Yijiong HU, Chunpeng LI, Ye JI, Hongli WANG
Abstract268)   HTML8)    PDF (1782KB)(22)      

Gasoline molecular blending technology on?line requires rapid access to detailed molecular composition information of various types of component oils. In this paper, an autoencoder?based method for the rapid resolution of gasoline molecular composition is developed, which can directly predict the detailed monomeric hydrocarbon composition of gasoline from near?infrared spectra. The constructed autoencoder model of gasoline molecular composition can explore the potential features and recover the original molecular composition by decoding the potential features. The artificial neural network algorithm is used to correlate the NIR spectral information with the potential features of gasoline composition. The accuracy of the model is verified by using hydrogenated gasoline with the average absolute error is 0.033. The model developed in this work applies the current popular autoencoder algorithm to the traditional petrochemical process, which is an important guideline for blending online and real?time optimization of gasoline molecules.

2024, 44 (2): 1-6. DOI: 10.12422/j.issn.1672-6952.2024.02.001
Recent Advances of Luminescent Lanthanide⁃Thiacalix[4]arene Complexes
Ziping LI, Yanfeng BI
Abstract377)   HTML50)    PDF (2434KB)(151)      

Thiacalix[4]arene ligands have the advantages of high recognition, derivatization, excellent stability and other advantages. Lanthanide (Ln) ions can coordinate with thiacalix[4]arene ligands to form multi?functional coordination clusters, which received increasing attention due to their unique catalytic, magnetic, optical properties. Thiacalix[4]arene can sensitize Ln ions to luminescence by the coordination of phenol and S groups via the "Antenna effect". This paper reviewed recent advances in structures, luminescent properties, and applications of luminescent Ln?thiacalix[4]arene complexes.

2024, 44 (1): 1-8. DOI: 10.12422/j.issn.1672-6952.2024.01.001
Mechanism of Wax Deposition on Wall of Waxy Condensates under the Synergistic Effect of Complex Components
Wenbo LIU, Bowen SHI, Yaming QI, Xiaoyu LIU, Zhihua WANG
Abstract127)   HTML31)    PDF (7467KB)(98)      

In order to explore the microscopic mechanism of wax deposition on the pipe wall of high temperature and high?pressure condensate gas wells, this paper uses molecular dynamics simulation technology by the Materials Studio to build condensate oil system with methane, pentane, nonane,n?dodecane, cyclobutane, cyclopentane, benzene and toluene,and the wax component model was built with n?octadecane, and simulate with wax content, asphaltene and scale as variables. The results show that with the increase of wax and asphaltene mass fraction, the wall wax deposition behavior can be intensified, but when the asphalt mass fraction reaches 2.0%,the wall wax deposition behavior can be inhibited.The more kinds of heteroatoms in asphaltene,the more obvious the promotion effect.When there is scale on the pipe wall, sulfate scale has a great influence on wax deposition.The understanding of microscopic mechanism provides a scientific basis for the treatment of wax deposition on the pipe wall.

2023, 43 (6): 1-10. DOI: 10.12422/j.issn.1672-6952.2023.06.001
Process Design and Economic Optimization for the Decomposition of Isopropylbenzene Peroxide by Reactive Distillation
Qinnong LIU, Zhengming YI, Dawei YAN, Qiuhong AI
Abstract176)   HTML42)    PDF (1572KB)(152)      

This paper uses Aspen Plus software to carry out steady?state simulations of a new process for the reactive distillation of hydrogen peroxide isopropylbenzene (CHP) and subsequent refining processes for phenol and acetone. The operating pressure, feed position and number of plates of the reactive distillation column and the refining process were economically optimised with the objective of minimising the total annual cost (CTAC). The results show that the optimal operating parameters of the process are as follows : the total number of trays of RD was 34, the number of trays in the distillation section was 27, the number of trays in the reaction section was 6, the feed position was 28, and the operating pressure was 3.0×104 Pa. The total plate numbers of acetone refining tower (T101), cumene top tower (T102), tar tower (T103) and phenol refining tower (T104) were 25, 61, 23 and 22, respectively. The feed positions are 16, 45, 9 and 9, respectively. The operating pressures were 5.2×104, 5.0×103, 5.5×104, 6.0×103 Pa. The minimum CTAC of the new process was 2 239.03×104 yuan/year. At the same time, the steady?state simulation and economic optimization of the traditional CHP decomposition and subsequent phenol and acetone refining process were also carried out, and the minimum CTAC value was 2 608.13×104 yuan/year. By comparing the reactive distillation process with the traditional process, it can be seen that CTAC can save 14.15% and energy consumption can save 9.01%.

2023, 43 (5): 1-6. DOI: 10.12422/j.issn.1672-6952.2023.05.001
Synthesis and Photocatalytic Performance of TiO 2/Fe 2O 3 Composites
Yien Du, Zhaodi Yang, Yumei Li
Abstract172)   HTML42)    PDF (1501KB)(207)      

TiO2/Fe2O3 nanocomposites with different morphologies were prepared by precipitation separation method combined with sol?gel method using Fe(NO3)3?9H2O and tetrabutyl titanate as iron and titanium sources, and HF, HAc, NH4F, NH3?H2O, H2O2 as morphology control agents, respectively. The structure and morphology of the TiO2/Fe2O3 samples were characterized by X?ray powder diffraction (XRD) and field emission scanning electron microscope (FESEM), and the degradation performance of the TiO2/Fe2O3 nanocomposites for methylene blue under UV?light irradiation condition was investigated. The results show that the NH3?H2O?TiO2/Fe2O3 nanocomposites prepared with NH3?H2O as the morphology control agent have the best degradation effect on MB, with a degradation rate of 82.9%, which is approximately 1.00, 1.10, 1.14, 1.15, 1.56, 3.57, 12.95 times larger than that of HF?TiO2/Fe2O3 (82.5%), H2O2?TiO2/Fe2O3 (75.7%), NH4F?TiO2/Fe2O3 (72.9%), HAc?TiO2/Fe2O3 (71.8%), TiO2 (53.1%), Fe2O3 (23.1%) and blank (6.4%) samples, respectively. This is attributed to the synergistic effect of its large specific surface area, spindle morphology, highest crystallinity and suitable heterojunction structure.

2023, 43 (4): 1-7. DOI: 10.12422/j.issn.1672-6952.2023.04.001
Preparation and Properties of Self⁃Forming Film Polyacrylate Colloids
Shuai Yang, Yufang Song, Weifeng Zhong, Canyi Yu, Congying Yang, Lihao Gong, Hongji Zhang
Abstract218)   HTML46)    PDF (1810KB)(249)      

A waterborne polyacrylate colloid with hard core and soft shell structure was synthesized with methyl methacrylate (MMA), styrene (St), butyl acrylate (BA), methacrylic acid (MAA) as monomers, diacetone acrylamide (DAAM) as crosslinking monomer and adipic acid dihydrazide (ADH) as crosslinking agent. By adjusting the glass transition temperature (Tg), the emulsion can be self?forming film without adding film forming additive at room temperature. The influence of DAAM?ADH crosslinking system on the properties of latex films was investigated. DSC and TGA analysis showed that the Tg and thermal stability of crosslinked latex films are higher than those of uncrosslinked films. When the mass ratio of DAAM in core?shell is 1∶2, the comprehensive performance of latex films is better than that distributed in core or shell alone. With the increase of DAAM content, the water absorption decreased from 18.99% to 4.38%, and the Gel Fraction increased from 79.30% to 90.84%. When the molar ratio of ADH/DAAM is 1.25, the water absorption reaches the lowest and the Gel Fraction reaches the maximum.

2023, 43 (3): 1-7. DOI: 10.12422/j.issn.1672-6952.2023.03.001
Investigation on Optimization of Parameters in Treating Dagang Shale Oil under High Frequency Electric Field
Donghai Yang, Xiaorui Cheng, Jian Luan, Hongxu Zhong, Chaohui Chen, Xinming Zhao, Weihong Xie, Qing Yun
Abstract333)   HTML38)    PDF (1644KB)(217)      

The solidifying point of shale oil is high, and the wax content is high and the emulsification degree of shale oil is high. As a result, it is not easy to dehydrate shale oil emulations by using the traditional thermochemical method, which is difficult to meet the export standard. High frequency pulse dehydration technology is an effective method to dehydrate, but there are few studies on the optimization of treatment parameters of shale oil produced fluid. In this study, the effect of high frequency pulse dehydration technology on Dagang shale oil emulsion was studied, and the treatment parameters were optimized. The results show that high frequency pulse dehydration technology can achieve effective demulsification of shale oil produced liquid and significantly reduce the water content of shale oil. Through the comparison and selection of treatment parameters, it is found that the increase of electric field intensity and electric field frequency is conducive to improve the dehydration efficiency. Besides, there are electric field action time, operation temperature and demulsifier concentration parameters with the best dehydration efficiency. It is proposed that under the electric field strength of 200 kV/m, electric field frequency of 5 kHz, electric field action time of 60 min, operating temperature of 75 ℃, demulsifier mass fraction of 0.010%, the water content of shale oil after dehydration is 0.48%, and the comprehensive benefit is the best. The research results provide technical support for the optimization of shale oil produced fluid treatment parameters.

2023, 43 (2): 1-6. DOI: 10.12422/j.issn.1672-6952.2023.02.001
Research Progress on Lithium Extraction Technology by Electrodialysis
Yang Wang, Qiao Han, Zhanxu Yang
Abstract631)   HTML70)    PDF (1984KB)(607)      

This paper summarized the separation effects of different electrodialysis systems on lithium in Salt Lake, including single selective electrodialysis, ionic liquid membrane and bipolar membrane, among which ionic liquid membrane with a broad development prospect possesses the characteristics of high recognition of Li+, long?term stability under electrolysis and low energy consumption. Furthermore, the advantages, disadvantages and tendency of prospective development of different electrodialysis systems in lithium extraction from Salt Lake were analyzed, and the industrialization research on the application of electrodialysis systems for lithium extraction from Salt Lake was analyzed.

2023, 43 (1): 1-7. DOI: 10.12422/j.issn.1672-6952.2023.01.001
Preparation of Bimetallic MOF⁃74(Mg x Ni 1- x ) and Its Adsorption and Separation Performance for CO 2/N 2
Ping Yang, Youxi Li, Wufeng Cai, Wenbo Liang, Linhai Duan
Abstract355)   HTML33)    PDF (1354KB)(494)      

HP?MOF?74(Mg x Ni1-x ) (x=0.25, 0.50, 0.75) was synthesized by solvothermal method with Mg and Ni as central metals and sodium dodecylbenzene sulfonate (SDBS) as template. Using flue gas CO2 and N2 as adsorbents, the performance of HP?MOF?74(Mg x Ni1-x ) in adsorption and separation of CO2/N2 at 273 K and 298 K was investigated, the isotherms of CO2 and N2 on three different HP?MOF?74(Mg x Ni1-x ) materials were measured at 273 K and 298 K by static volumetric method, and the experimental data sets were fitted by Dual Site Langmuir Freundlich (DSLF) and Single Site Langmuir Freundlich (SSLF) models. The adsorption selectivity of CO2/N2 binary mixture was estimated according to the Ideal Adsorption Solution Theory (IAST). In addition, the isosteric heat of adsorption (Qst) was calculated using the Clausius Clapeyron equation. The results show that the CO2 adsorption capacity of HP?MOF?74(Mg0.50Ni0.50) sample is 4.864 mmol/g at 273 K and 100 kPa; the adsorption isotherms of CO2 and N2 on HP?MOF?74(Mg x Ni1-x ) are in good agreement with Dual Site Langmuir Freundlich (DSLF) and Single Site Langmuir Freundlich (SSLF) models respectively, indicating that the adsorption behavior of CO2 is double sites adsorption, while the adsorption behavior of N2 is single site adsorption; at 273 K and 100 kPa, the IAST adsorption selectivity of HP?MOF?74(Mg0.25Ni0.75) for CO2 is 2 263, and the adsorption capacity and selectivity are better than those of traditional adsorbent MOF?74; the CO2 isosteric heat of adsorption on HP?MOF?74(Mg x Ni1-x ) is higher than that of N2, indicating that the surface free binding energy of CO2 on HP?MOF?74(Mg x Ni1-x ) is higher.

2022, 42 (6): 1-7. DOI: 10.3969/j.issn.1672-6952.2022.06.001
Hydrodeoxygenation of Guaiacol as a Model Compound of Lignin: A Review
Qichang Guo, Jingbo Mao, Chunyu Liu, Yufeng Jia, Jinxia Zhou
Abstract657)   HTML58)    PDF (647KB)(625)      

Guaiacol (GUA) is extensively used as the model compound in catalytic studies of lignin, a most abundant renewable aromatic resource in nature. However, GUA is not easy to obtain good activity and selectivity in the hydrodeoxygenation reaction due to its complex structure with various reaction possibilities. So far, researchers have done great efforts to develop efficient catalysts and reaction processes for breakthroughs. This paper reviewed the research progress of transition metal catalysts and noble metal catalysts for hydrodeoxygenation of GUA, and discussed the reaction pathways and the factors which may affect the catalytic behavior, particularly focusing on their catalytic conversions of GUA to phenol or cyclohexanol through CAR-O bond cleavages and aromatic ring saturation. A prospect regarding the future research directions on the catalyst improvement and reaction process optimization were also presented.

2022, 42 (5): 1-12. DOI: 10.3969/j.issn.1672-6952.2022.05.001
Effect of PEG⁃800 on Morphology and Catalytic Performance of SAPO⁃34
Xuan Xie, Yingzhi Bai, Weiwei Tai, Yujia Wang, Haiyan Wang
Abstract187)   HTML42)    PDF (912KB)(242)      

Template agent is an essential part in the synthesis of molecular sieves, which has great influence on the physical properties and catalytic properties of molecular sieves. SAPO?34 molecular sieve was synthesized by hydrothermal method using stainless steel tube as crystallization vessel. The effect of PEG?800 addition on crystallinity, morphology and acidity of molecular sieve was investigated, and its MTO catalytic performance was evaluated. The results show that the molecular sieve samples synthesized with TEAOH & PEG?800 as the composite template agent are thin plate?like, the crystallinity and acidity are suitable, and the longest catalytic life is 340 min. When the methanol conversion is above 95%, the selectivity of diolefins is up to 84.0%. It is also found that the thinner the crystal thickness of the lamellar molecular sieve, the better the catalytic performance.

2022, 42 (4): 1-5. DOI: 10.3969/j.issn.1672-6952.2022.04.001
Simulation Study on the Adsorption and Diffusion Behavior of Water Molecules in Modified MCM⁃41
Shujun Chen, Jianlin Pei, Yue Fu, Yaxue Zhang
Abstract341)   HTML    PDF (2006KB)(167)      

By constructing a skeleton model of MCM?41 loaded with various functional groups, the adsorption and diffusion properties of water molecules in McM?41 pores with different hydrophilic and hydrophobic properties were calculated by GCMC and MD simulations. The results show that the water adsorption isotherms of MCM?41 materials are mainly Ⅱ type. Hydrophilic functional groups loaded on MCM?41 pore surface can form hydrogen bonds with water molecules, so the interaction force on water molecules is about 114.27% higher than that of hydrophobic functional groups. The diffusion capacity of water molecules in the hole of MCM?41 is positively correlated with the hydrophilicity of surface functional groups, and the diffusion coefficient of water molecules in the material with hydrophilic surface is about 58.82% higher than that of the hydrophobic surface. It was proved that MCM?41 material with hydrophilic surface can promote the adsorption and diffusion behavior of water molecules in pores in aqueous environment.

2022, 42 (3): 1-7. DOI: 10.3969/j.issn.1672-6952.2022.03.001
Synthesis and Properties of Silver Nanowires with Large Diameter and High Aspect Ratio
Congying Yang, Yufang Song, Canyi Yu, Shuai Yang, Weifeng Zhong, Hongji Zhang
Abstract383)   HTML    PDF (2113KB)(520)      

An improved ethylene glycol method was used to efficiently synthesize silver nanowires with a diameter of about 130 nm, a length of about 150 μm, and L/D was about 1 150 by adjusting the content of chloride ions, the amount of polyvinylpyrrolidone (PVP) and the reaction temperature. All raw materials are put in one time before the reaction, no need to use syringe pumps and other equipment to strictly control the content of components. The synthesized silver nanowires have high purity and few impurities. At the same time, it was purified by filtration and washed twice to obtain extremely pure silver nanowires, which is suitable for large?scale production. The conductive network of silver nanowires was constructed on the quartz glass substrate by spin coating. The results show that the light transmittance at 550 nm is 95.5%, the sheet resistance is 52.0 Ω/sq, and it have excellent photoelectric properties.

2022, 42 (2): 1-7. DOI: 10.3969/j.issn.1672-6952.2022.02.001
Preparation and Characterization of Polyaniline Coated Lithium Zinc Titanate Anode Materials
Rui Xun, Lijuan Wang
Abstract1561)   HTML    PDF (1733KB)(287)      

The Li2ZnTi3O8@polyaniline (LZTO@PANI) composite materials were prepared by sol?gel and chemical oxidation polymerization methods using tetrabutyl titanate, zinc acetate, lithium acetate and aniline as raw materials. The materials were characterized and analyzed by X?ray diffraction (XRD), infrared spectroscopy (IR), scanning electron microscope (SEM) transmission electron microscope (TEM) and electrochemical testing. The results show that the polyaniline in the composite material has an amorphous structure and no impurities are introduced. When the coating amount of polyaniline is 5.3%, the discharge specific capacity is 330.0 (mA·h)/g at 0.1 A/g. In addition, after 100 cycles, the specific discharge capacity is 281.3 (mA·h)/g.

2022, 42 (1): 1-6. DOI: 10.3969/j.issn.1672-6952.2022.01.001
Research Progress on Modification of Bismuth Oxide as Visible Light Photocatalyst
Yonghui Zhang, Xuebing Chen, Jing Zhang
Abstract4134)   HTML    PDF (1443KB)(895)      

As an important semiconductor photocatalytic material, bismuth oxide (Bi2O3) is considered as a promising visible photocatalyst due to its special electronic structure and excellent visible light response performance. It displays a good application prospect in photocatalytic treatment of wastewater. However, the application of Bi2O3 is limited by its low photocatalytic performance, therefore, Bi2O3 pholocatalyst with superior performance is expected to be obtained by modifying methods by the researchers. In this review, a series of modification methods, such as surface morphology regulation, surface modification, metal ion modification and semiconductor combination, are summarized. Then, the future development of modified Bi2O3 photocatalytic materials is prospected.

2021, 41 (6): 1-8. DOI: 10.3969/j.issn.1672-6952.2021.06.001
Analysis of Factors Affecting the Dehydration Effect of Shale Gas Triethylene Glycol Dehydration Unit
Kexi Liao, Min'an Wang, Hao Peng, Guoxi He, Jihui Leng
Abstract2482)   HTML    PDF (2294KB)(191)      

In different production stages of shale gas fields, various operating conditions and parameters vary widely, and the operating conditions of the triethylene glycol dehydration unit may deviate from the optimal range, which may easily lead to insignificant dehydration effects, which will affect normal production. The HYSYS software was used to simulate the process of a 300.0×104 Nm3/d shale gas triethylene glycol dehydration unit.The influence of the process parameters on the dehydration effect of the triethylene glycol such as the triethylene glycol circulation volume, the mass fraction of the triethylene glycol lean liquid, the flow rate of the feed gas into the tower, and the temperature of the feed gas into the tower,the operating pressure of the absorption tower, the temperature of the lean triethylene glycol liquid entering the tower, the total efficiency of the trays and the number of trays in the absorption tower were quantitatively analyzed.And the reasonable operating range of each process parameter was determined to achieve the best dehydration effect and meet the requirements of dry gas export. The results show that increasing the triethylene glycol circulation, lean liquid mass fraction, absorption tower operating pressure, total tray efficiency and number of absorption trays, as well as reducing the flow and temperature of feed gas into the tower, and the temperature of triethylene glycol lean liquid entering the tower are all helpful to improve the dehydration effect of triethylene glycol; increasing the temperature of the reboiler and the flow of stripping gas are beneficial to increase the mass fraction of the lean triethylene glycol. In addition, the HYSYS simulation calculation results are compared with the on?site production data. The results show that the two are basically consistent, which verifies the accuracy of the simulation calculation results, which can be used to guide actual production. The above research has certain guiding significance for improving dehydration efficiency and reducing investment cost.

2021, 41 (5): 1-8. DOI: 10.3969/j.issn.1672-6952.2021.05.001
Review of Copper⁃Based Catalysts for Electrocatalytic Reduction of Carbon Dioxide
Guohua Diao, Liwei Pan, Lin Fan, Xinyu Han, Hexiang Zhong
Abstract3040)   HTML    PDF (855KB)(494)      

With the rapid economic development, the demand for energy continues to increase, and the emission of CO2 gas keep growing. The electrochemical reduction of carbon dioxide (ERC) to fuel and chemicals is an effective way to realize the conversion and utilization of CO2 as well as the storage of renewable energy. Cu?based catalysts are one of the materials which can directly reduce CO2 to high value?added chemicals(such as hydrocarbons) with high efficiency. Thus, the Cu?based catalysts have been one of the research focus of ERC technology research. The main research progress of Cu?based catalysts for ERC technology in recent years is reviewed. Firstly, reaction principle of ERC and the technology challenge are summarized, and then the cooperative control strategy for the structure and composition of copper?based catalysts is discussed for monometallic copper?based catalysts, polymetallic copper?based catalysts, copper oxide and oxide?derived copper catalysts, and copper?organic composite catalysts. In addition, research progress and unsolved problems of Cu?based catalysts are also summarized. Finally, the future trend these catalysts is also prospected.

2021, 41 (4): 1-8. DOI: 10.3969/j.issn.1672-6952.2021.04.001
Research Progress of Photocatalysis of TiO2 Supported on Mineral Materials
Wang Ning, Zhao Zhentao, Ma Kunyi, Xing Jinjuan
Abstract932)   HTML    PDF (2450KB)(218)      
With the development of chemical industry, the discharge of industrial wastewater increase gradually, which has caused serious environmental pollution. Therefore, developing an efficient treatment technology to solve this problem is urgently needed. Photocatalysis is an efficient strategy to remove organic pollutants in aqueous condition. TiO2 is one of the most excellent photocatalytic material to be used in pollutant degradating, due to its higher chemical stability, photocatalytic activity and environmental friendliness. However, TiO2 particles are aggregated easily in aqueous media and difficult to be recycled, which hinders its practical applications. Dispersing TiO2 nanoparticles on the surface of mineral materials can reduce the aggregation of TiO2, increase the number of surface active sites, and improve its photocatalytic activity. This paper reviews new research progress of mineral supported TiO2 composites in photocatalytic degradation of organic pollutants.
2021, 41 (3): 1-9. DOI: 10.3969/j.issn.1672-6952.2021.03.001