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Phase equilibrium data prediction and process optimizationin butadiene extraction process

Chinese Journal of Chemical engineering 2024年第7期71卷 1-12页

作者： Baowei Niu Yanjie Yi Yuwen Wei Fuzhen Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang Institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by *** accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium *** results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing ***-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS *** predicted phase equilibrium data were checked for *** NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium *** device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction *** simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its *** average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and *** best phase equilibrium data and thermodynamic model parameters for butadiene extraction are *** improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

关键词： Butadiene extraction Phase equilibrium data Prediction methods Thermodynamic modeling process simulation

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Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

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Chinese Journal of Chemical engineering 2024年第4期68卷 193-202页

作者： Yuwen Wei Chunling Zhang Yue Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang Institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China Yantai Guobang Chemical Machinery Technology Co. Ltd.Yantai 264002China

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

关键词： Molecular design Element and chemical bonds Molecular simulation Thermodynamics Solvent extraction

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Rare earth metal based DES assisted the VPO synthesis for n-butane selective oxidation toward maleic anhydride

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Green Energy & Environment 2023年第6期8卷 1737-1752页

作者： Muhammad Faizan Yingwei Li Xingsheng Wang Piao Song Ruirui Zhang Ruixia Liu Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringState Key Laboratory of Multiphase Complex SystemInstitute of Process Engineering Chinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China Zhengzhou Institute of Emerging Industrial Technology Zhengzhou450000China

Deep eutectic solvents(DESs) are now considered a new class of ionic liquid analogs that have been generously used in various ***, vanadium phosphorus oxide(VPO) catalysts are synthesized in combination with a deep eutectic solvent containing rare earth metal(rE-DES), and their catalytic performance in n-butane selective oxidation to produce maleic anhydride(MA) is evaluated. The rE-DES is produced from the interaction of choline chloride(ChCl) and rare earth metal salts(Cerium, Europium, Lanthanum, and Samarium metal salt)(ChCl:rE = 1:0.5–1:3) under mild conditions. It was found that DESs served as structural modifiers and electronic promoters during VPO synthesis. It regulated the chemical state of the catalyst surface, such as the vanadium valence state, acid-base properties, and ratios of V^(4+)/V^(5+),Lat–O/Sur–O and P/V. Various characterization techniques, such as FT-IR, DSC, XRD, SEM, EDS, TEM, Raman, TGA, NH3-TPD, and XPS,were used to examine its physical and chemical characteristics. These characteristics were correlated with the catalytic performance. The VPO catalyst modified by rE-DES showed a significant enhancement of n-butane conversion and MA selectivity while suppressing the selectivity of CO and CO_(2)as well as the CO/CO_(2)ratio compared to the unpromoted VPO catalyst. Especially for Ce-DES-VPO, it increased the n-butane conversion and MA mass yield up to approximately 11% and 10%, respectively. In addition, we evaluated the catalytic performance under different activation atmospheres.

关键词： earth anhydride vanadium

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Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution

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Chinese Journal of Chemical engineering 2023年第5期57卷 30-38页

作者： Li Xia Yule Pan Tingting Zhao Xiaoyan Sun Shaohui Tao Yushi Chen Shuguang Xiang Institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China Petro-Cyber Works Information Technology Company Limited Shanghai Branch Shanghai 200120China

Molecular property depends on the property, the number of the elements, and the interaction between elements(such as chemical bonds). Based on the above-mentioned idea, two methods to estimate the isobaric heat capacity of liquids organic compounds were developed. Ten elements groups and 32 chemical bond groups were defined by considering the structure of organic compounds. The group contribution values and correlation parameters were regressed by the ridge regression method with the experiment data of 1137 compounds. The heat capacity can be calculated by summating the contributions of the elements and chemical bond groups. The two methods were compared with existing group contribution methods, such as Chickos, Zabransky-Ruzicka, and Zdenka Kolska. The results show that those new estimation methods' overall average relative deviations were 5.81% and 5.71%, which were lower than the other three methods. Those methods were more straightforward in compound *** new methods can be used to estimate the liquid heat capacity of silicon-containing compounds,which the other three methods cannot estimate. The new methods are more accessible, broader, and more accurate. Therefore, this research has important scientific significance and vast application prospects.

关键词： Thermodynamic Properties Model Prediction Elements and Chemical Bonds

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Progress of vanadium phosphorous oxide catalyst for n-butane selective oxidation

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Chinese Journal of Chemical engineering 2022年第3期35卷 297-315页

作者： Muhammad Faizan Yingwei Li Ruirui Zhang Xingsheng Wang Piao Song Ruixia Liu Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Multiphase Complex SystemInstitute of Process Engineering Chinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

The utilization of lighter alkanes into useful chemical products is essential for modern chemistry and reducing the CO_(2)***,n-butane has gained special attention across the globe due to the abundant production of maleic anhydride(MA).Vanadium phosphorous oxide(VPO)is the most effective catalyst for selective oxidation of n-butane to MA so ***,the VPO complex exists in more or less fifteen different structures,each one having distinct phase composition and exclusive surface morphology and physiochemical properties such as valence state,lattice oxygen,acidity etc.,which relies on precursor preparation method and the activation conditions of *** catalytic performance of VPO catalyst is improved by adding different promoters or co-catalyst such as various metals dopants,or either introducing template or structural-directing ***,new preparation strategies such as electrospinning,ball milling,hydrothermal,barothermal,ultrasound,microwave irradiation,calcination,sol-gel method and solvothermal synthesis are also employed for introducing improvement in catalytic *** in above-mentioned different aspects will be ascribed in current review in addition to summarizing overall catalysis activity and final *** analyze the performance of the catalytic precursor,the reaction mechanism and reaction kinetics both are discussed in this review to help clarify the key issues such as strong exothermic reaction,phosphorus supplement,water supplement,deactivation,and air/n-butane pretreatment *** to the various industrial applications of VPO.

关键词： N-butane selective oxidation Oxidation of light alkanes Vanadium phosphorus oxide(VPO) Maleic anhydride

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Improving the ductility and toughness of nano-TiC/AZ61 composite by optimizing bimodal grain microstructure via extrusion speed

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Journal of Magnesium and Alloys 2024年第8期12卷 3264-3280页

作者： Lingling Fan Mingyang Zhou Wulve Lao Yuwenxi Zhang Hajo Dieringa Ying Zeng Yuanding Huang Gaofeng Quan Key Laboratory of Advanced Technologies of Materials Ministry of EducationChengdu 610031China School of Materials Science and Engineering Southwest Jiaotong UniversityChengdu 610031China Institute of Material and Process Design Helmholtz-Zentrum HereonGeesthacht 21502Germany Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China School of Civil Engineering Southwest Jiaotong UniversityChengdu 610031China Institute of Metallic Biomaterials Helmholtz-Zentrum HereonGeesthacht 21502Germany

In this study,the nano-TiC/AZ61 composites with different heterogeneous bimodal grain(HBG)structures and uniform structure are obtained by regulating the extrusion *** effect of HBG structure on the mechanical properties of the composites is *** increasing ductility and toughening mechanism of HBG magnesium matrix composites are carefully *** the extrusion speed increases from 0.75 mm/s to 2.5 mm/s or 3.5 mm/s,the microstructure transforms from uniform to HBG *** with Uniform-0.75 mm/s composite,Heterogeneous-3.5 mm/s composite achieves a 116.7%increase in ductility in the plastic deformation stage and almost no reduction in ultimate tensile *** is mainly because the lower plastic deformation inhomogeneity and higher strain hardening due to hetero-deformation induced(HDI)***,Heterogeneous-3.5 mm/s composite achieves a 108.3%increase in toughness compared with the Uniform-0.75 mm/s *** is mainly because coarse grain(CG)bands can capture and blunt cracks,thereby increasing the energy dissipation for crack propagation and improving *** addition,the CG band of the Heterogeneous-3.5 mm/s composite with larger grain size and lower dislocation density is more conducive to obtaining higher strain hardening and superior blunting crack ***,the increased ductility and toughness of the Heterogeneous-3.5 mm/s composite is more significant than that Heterogeneous-2.5 mm/s composite.

关键词： Nano-TiC/AZ61 composite Extrusion speed Heterogeneous bimodal grain structure Increasing ductility mechanism Toughening mechanism

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Annual Optimal Performance Analysis of Micro Heat Pipe PV/T under Different Angles in Northwest China

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Journal of Thermal Science 2025年第2期34卷 400-412页

作者： LIU Xiaomin WU Qingbai LI Jinping Vojislav NOVAKOVIC School of Energy and Power Engineering Lanzhou University of TechnologyLanzhou730050China Collaborative Innovation Center for Supporting Technology of Northwest Low-Carbon Towns Lanzhou730050China Gansu Key Laboratory of Complementary Energy System of Biomass and Solar Energy Lanzhou730050China Gansu Natural Energy Research Institute Lanzhou730050China Department of Energy and Process Engineering Norwegian University of Science and TechnologyTrondheimNO-7491Norway

The exploitation of photovoltaic/thermal(PV/T)systems,which facilitate concurrent conversion of solar radiation into electrical and heat energies,presents substantial potential in the solar-abundant northwestern zone of *** investigation endeavors to evaluate the efficacy of a micro heat pipe(M-HP)PV/T system via exhaustive experimental analysis conducted in *** improve the performance of M-HP-PV/T system,a comparison was made between the optimal angles for each day and the entire *** system inside greenhouse exhibited an average photovoltaic conversion efficiency(PCE)and thermal conversion efficiency(TCE)of12.32%and 42.81%.The system of external environment registered average PCE and TCE values of 12.99%and21.08%.To further understand the system's operational results,a mathematical model was constructed through the integration of experimental data,exhibiting good agreement between the simulated outcomes and empirical *** average solar irradiance of daily optimum angle was 728.3 W/m^(2);the annual optimum angle was 29°with an average solar irradiance of 705.6 W/m^(2).The average annual total powers at the optimal angle outside the greenhouse and inside the greenhouse were 448.0 W and 398.7 *** average annual total efficiencies at the optimal angle outside the greenhouse and inside the greenhouse were 40.8%and 56.9%.The total power in the greenhouse was lower by 49.3 W,while total efficiency in the greenhouse was higher by 16.1%.

关键词： solar energy micro heat pipe PV/T system greenhouse optimal angle

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Effect of thermo-mechanical conditions during constrained friction processing on the particle refinement of AM50 Mg-alloy phases

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Journal of Magnesium and Alloys 2024年第6期12卷 2298-2311页

作者： Camila Caroline de Castro AndréMartins Neves Benjamin Klusemann Helmholtz-Zentrum Hereon Institute of Material and Process DesignSolid-State Materials Processing21502 GeesthachtGermany Helmholtz-Zentrum Hereon Institute of Hydrogen TechnologySystem Design for Mobility21502 GeesthachtGermany Helmut Schmidt University/University of the German Federal Armed Forces Hamburg Department of Mechanical and Civil Engineering22043 HamburgGermany Leuphana University Lüneburg Institute for Production Technology and Systems21335 LüneburgGermany

Constrained Friction processing(CFP)is a novel solid-state processing technique suitable for lightweight materials,such Mg-and *** technique enables grain size refinement to fine or even ultrafine *** this study,the effect of CFP on the microstructural refinement of AM50 rods is investigated in terms of particle size and morphology of the eutectic and secondary phases originally present in the base material,in particular the eutecticβ-Mg_(17)Al_(12)and Al-Mn *** that purpose,as-cast and solution heat-treated base material and processed samples were *** Al_(8)Mn_(5) intermetallic phase was identified as the main secondary phase present in all samples before and after the processing.A notorious refinement of these particles was observed,starting from particles with an average equivalent length of a few micrometers to around 560 nm after the *** refinement of the secondary phase refinement is attributed to a mechanism analogous to the attrition comminution,where the combination of temperature increase and shearing of the material enables the continuous breaking of the brittle intermetallic particles into smaller *** for the eutectic phase,the results indicate the presence of the partially divorcedβ-Mg_(17)Al_(12)particles exclusively in the as-cast base material,indicating that no further phase transformations regarding the eutectic phase,such as dynamic precipitation,occurred after the *** the case of the processed as-cast material analyzed after the CFP,the thermal energy generated during the processing led to temperature values above the solvus limit of the eutectic phase,which associated with the mechanical breakage of the particles,enabled the complete dissolution of this ***,CFP was successfully demonstrated to promote an extensive microstructure refinement in multiple aspects,in terms of grain sizes of theα-Mg phase and presence and morphology of the Al-Mn and eutecticβ-Mg_(17)Al_(12).

关键词： Constrained friction processing AM50 Refill friction stir spot welding Extrusion β-Mg_(17)Al_(12) Al-Mn phases

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Deployment method of wireless sensor networks based on MaOEA/P-GM algorithm

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Soft Computing 2024年 1-10页

作者： Wang, Jun Luo, Dongxu Chen, Weiru Peng, Funan Li, Zhiwu College of Computer Science and Technology Shenyang University of Chemical Technology Shenyang110142 China Key Laboratory of Industrial Intelligence Technology on Chemical Process Shenyang University of Chemical Technology Shenyang110142 China College of System Engineering Institute Macao University of Science and Technology 00853 China

At present, wireless sensor networks are developing rapidly, but they will also face many challenges. For example, in the deployment problem, many problems such as cost, coverage, connectivity, energy, network life cycle and so on need to be considered, while the traditional multi-objective algorithm does not perform well in dealing with many-objective problems. How to quickly find high-quality solutions is the focus of research today. This paper proposes a deployment method for wireless sensor networks based on MaOEA/P-GM algorithm. This method improves the mutation strategy of the algorithm according to the characteristics of wireless sensor network deployment based on the many-objective algorithm MaOEA/P. Experiments show that using this algorithm in a many-objective environment can quickly get a high-quality solution set with fewer nodes, high coverage, good connectivity, and balanced energy consumption. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： Life cycle

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Intelligent Flame Detection of Heating Furnace Based on Improved YOLO v5∗ 49

Intelligent Flame Detection of Heating Furnace Based on Impr...

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49th Annual Conference of the IEEE Industrial Electronics Society, IECON 2023

作者： Wang, Xin Hu, Shaolin Guo, Qiliang Li, Jichao Electronics and Information Engineering Xi'an Technological University Xi'an China Institute of Process Monitoring and System Safety Guangdong University of Petrochemical Technology Maoming China School of Automation and Information Engineering Xi'an University of Technology Xi'an China

ISBN: (纸本)9798350331820

The detection of the flame combustion status of a heating furnace is an important link in determining its working status and ensuring the safety of petrochemical production. To improve the efficiency of flame combustion detection and timely processing in chemical heating furnaces, this article made specific improvements to the YOLO v5 model from five different aspects: firstly, to address the problem of insufficient sample data, a data augmentation strategy was adopted;Secondly, MobileNetv3 lightweight network is introduced to replace the C3 module in the backbone network, to reduce the parameters and computation;Continuing with SIOU_Loss Loss function replaces the original CIOU_Loss, increased angle loss;Fourthly, changing the NMS in YOLO v5 to soft-NMS has improved detection performance in dense areas;Finally, the method of knowledge distillation is adopted to improve the accuracy of detection. This article uses actual flame images of a heating furnace to compare our algorithm with other detection algorithms. The experimental results show that compared to other detection algorithms, the average accuracy of the improved YOLOv5 reaches 99.38%. Compared with the most advanced YOLOv8 algorithm, the parameter quantity is reduced by 47.70%, and the computational cost is reduced by 45.00%. This confirms that the improved YOLOv5 algorithm can effectively achieve faster and more accurate flame detection. © 2023 IEEE.

关键词： Distillation

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