Chinese Journal of Chemical Engineering最新文献

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Sulfuric acid etching CeO2 nanoparticles to promote high KA-Oil selectivity in cyclohexane selective oxidation 硫酸蚀刻CeO2纳米颗粒促进环己烷选择性氧化KA-Oil的高选择性
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2025.03.005
Shuang Wei , Yingwei Li , Longlong Wang , Kexin Li , Bin He , Ruirui Zhang , Ruixia Liu
{"title":"Sulfuric acid etching CeO2 nanoparticles to promote high KA-Oil selectivity in cyclohexane selective oxidation","authors":"Shuang Wei ,&nbsp;Yingwei Li ,&nbsp;Longlong Wang ,&nbsp;Kexin Li ,&nbsp;Bin He ,&nbsp;Ruirui Zhang ,&nbsp;Ruixia Liu","doi":"10.1016/j.cjche.2025.03.005","DOIUrl":"10.1016/j.cjche.2025.03.005","url":null,"abstract":"<div><div>Nanostructured ceria has attracted much attention in the field of redox catalysts due to the numerous active sites with excellent redox ability. Based on the acidic medium etching strategy, we constructed the strong binding centers (hydroxyl sites and strong acid sites) on the surfaces of nanostructured ceria, which regulate the adsorption process of KA-Oil (the mixture of cyclohexanol and cyclohexanone) and to promote high KA-Oil selectivity in cyclohexane oxidation. The three CeO<sub>2</sub> (nanocube, nanorod and nanopolyhedron) with different exposed crystal planes were treated by acid etching to change the surface sites and catalytic properties. The transition behavior of surface sites during etching was revealed, abundant strong binding centers were proved to be constructed successfully. And especially for the nanorod treated by acid (Acid@CeO<sub>2</sub>-NR) with the strongest response for sulfuric acid etching, the strong adsorption of cyclohexanone by strong binding centers was confirmed based on the <em>in-situ</em> DRIFTs. The sulfuric acid etching strategy to enhance the selective oxidation of cyclohexane based on the construction of strong binding centers was proved to be feasible and effective, Acid@CeO<sub>2</sub>-NR with strongest etching response achieved the dramatic promotion of KA-Oil selectivity from 64.1% to 92.3%.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 151-160"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermal aging and pyrolysis behavior of hyperbranched polymers grafted carbon fibers reinforced phthalonitrile/cyanate ester blend composites 超支化聚合物接枝碳纤维增强邻苯二腈/氰酸酯共混复合材料的热老化与热解行为
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2024.12.017
Abbas Daham , Abdeldjalil Zegaoui , Athar Ali Khan Gorar , Zhicheng Wang , Jun Wang , Zhiyi Guo , Zhongcheng Pan , Wenbin Liu , Mehdi Derradji
{"title":"Thermal aging and pyrolysis behavior of hyperbranched polymers grafted carbon fibers reinforced phthalonitrile/cyanate ester blend composites","authors":"Abbas Daham ,&nbsp;Abdeldjalil Zegaoui ,&nbsp;Athar Ali Khan Gorar ,&nbsp;Zhicheng Wang ,&nbsp;Jun Wang ,&nbsp;Zhiyi Guo ,&nbsp;Zhongcheng Pan ,&nbsp;Wenbin Liu ,&nbsp;Mehdi Derradji","doi":"10.1016/j.cjche.2024.12.017","DOIUrl":"10.1016/j.cjche.2024.12.017","url":null,"abstract":"<div><div>This study investigates the long-term thermal-oxidative stability and mechanical properties of phenol-containing phthalonitrile monomer (PN75) and dicyanate ester of bisphenol-A (DCBA) composites reinforced with short carbon fibers T700SC (SCF) within a temperature range of 330−375 °C. The research focuses on the PN75 monomer and DCBA blend reinforced SCF composites with varying SCF content, examining mass loss and changes in flexural strength after thermal aging for 50 h (h). Results show that the SCF-reinforced composites based on the PN75/DCBA blend consistently outperform the neat blend in flexural strength, both at room temperature and after thermal aging. The introduction of the SCF significantly improves the composites' thermal stability and mechanical retention, with higher SCF content correlating to better performance. Notably, after aging at 350 °C, the SCF-reinforced composites based (30% (mass) SCF) retained 88.8% of its flexural strength, compared to 61.1% for the neat blend. Morphological analysis reveals that while thermal aging causes degradation of the PN75/DCBA blend layer on SCF surfaces, the overall composite structure maintains good mechanical properties up to 350 °C. At 375 °C, significant degradation occurs, yet the composites still retain flexural strengths above 78 MPa. This study demonstrates the potential of the SCF-reinforced composites based on PN75/DCBA blend for high-temperature applications, establishing their upper-temperature limit for long-term use in oxidative environments.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 161-170"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Facile synthesis copper-modified titania (Cu/TiO2) nanoparticles for high-efficiency Congo red adsorption 制备高效吸附刚果红的铜修饰二氧化钛纳米粒子
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2024.12.015
Shuaishuai Zhang , Qingwen Luo , Xinan Sun , Lin Chi , Peng Sun , Lianke Zhang
{"title":"Facile synthesis copper-modified titania (Cu/TiO2) nanoparticles for high-efficiency Congo red adsorption","authors":"Shuaishuai Zhang ,&nbsp;Qingwen Luo ,&nbsp;Xinan Sun ,&nbsp;Lin Chi ,&nbsp;Peng Sun ,&nbsp;Lianke Zhang","doi":"10.1016/j.cjche.2024.12.015","DOIUrl":"10.1016/j.cjche.2024.12.015","url":null,"abstract":"<div><div>Pure TiO<sub>2</sub> and copper-modified titania (Cu/TiO<sub>2</sub>) nanoparticles were synthesized through sol gel combined with the pyrolysis method for the removal of Congo red (CR) in wastewater treatment. Surface morphology and structural evaluation utilized XRD, TEM, Raman, FTIR and BET techniques. Cu/TiO<sub>2</sub> showed rich defects and a higher specific surface area than that of TiO<sub>2</sub>. The 1Cu/TiO<sub>2</sub> (molar ratio Cu/TiO<sub>2</sub> of 1/100) showed the best performance to adsorption of CR solution at different reaction conditions (contact duration, CR concentration, adsorbent dose, temperature, and initial pH). Adsorption kinetics and equilibrium isotherms were well-described with a pseudo-second-order kinetics and Freundlich model, respectively. The negative ΔG indicates stable adsorption of CR on the Cu/TiO<sub>2</sub> surface. The adsorption efficiency only decreases by 6% after 5 cycles of adsorption regeneration. The successful synthesis of Cu/TiO<sub>2</sub> offers a new possibility to address the problems related to CR dye from aqueous solutions.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 87-94"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phase equilibria of ternary system RbCl - polyethylene glycol (PEG6000) - H2O at T = (288.2, 298.2, and 308.2) K: Measurement, correlation, and thermodynamic modeling 三元体系RbCl -聚乙二醇(PEG6000) - H2O在T =(288.2, 298.2和308.2)K时的相平衡:测量,相关性和热力学模型
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2024.12.020
Shan Feng , Maolan Li , Xudong Yu , Lin Wang , Qin Huang
{"title":"Phase equilibria of ternary system RbCl - polyethylene glycol (PEG6000) - H2O at T = (288.2, 298.2, and 308.2) K: Measurement, correlation, and thermodynamic modeling","authors":"Shan Feng ,&nbsp;Maolan Li ,&nbsp;Xudong Yu ,&nbsp;Lin Wang ,&nbsp;Qin Huang","doi":"10.1016/j.cjche.2024.12.020","DOIUrl":"10.1016/j.cjche.2024.12.020","url":null,"abstract":"<div><div>The phase equilibria relationship of the system RbCl-PEG6000-H<sub>2</sub>O were investigated at temperatures of 288.2, 298.2, and 308.2 K, the compositions of solid-liquid equilibria(SLE) and liquid-liquid equilibria(LLE) were determined. The complete phase diagrams, binodal curve diagrams, and tie-line diagrams were all plotted. Results show that both solid-liquid equilibria and liquid-liquid equilibria relationships at each studied temperature. The complete phase diagrams at 288.2 K, 298.2 K and 308.2 K consist of six phase regions: unsaturated liquid region (L), two saturated solutions with one solid phase of RbCl (L + S), one saturated liquid phase with two solid phases of PEG6000 and RbCl (2S + L), an aqueous two-phase region (2L), and a region with two liquids and one solid phase of RbCl (2L + S). With the increase in temperature, the layering ability of the aqueous two-phase system increases, and both regions (2L) and (2L + S) increase. The binodal curves were fitted using the nonlinear equations proposed by Mistry, Hu, and Jayapal. Additionally, the tie-line data were correlated with the Othmer-Tobias, Bancroft, Hand, and Bachman equations. The liquid-liquid equilibria at 288.2 K, 298.2 K and 308.2 K were calculated using the NRTL model. The findings confirm that the experimental and calculated values are in close agreement, demonstrating the model’s effectiveness in representing the system’s behavior.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 105-114"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation of MoO3/γ-Al2O3 sulfur-resistant methanation catalyst with segmented plasma fluidized bed 分段等离子流化床制备MoO3/γ-Al2O3耐硫甲烷化催化剂
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2025.02.014
Baowei Wang, Jiangzhou Kong, Xiaoyan Li
{"title":"Preparation of MoO3/γ-Al2O3 sulfur-resistant methanation catalyst with segmented plasma fluidized bed","authors":"Baowei Wang,&nbsp;Jiangzhou Kong,&nbsp;Xiaoyan Li","doi":"10.1016/j.cjche.2025.02.014","DOIUrl":"10.1016/j.cjche.2025.02.014","url":null,"abstract":"<div><div>In order to solve the shortcomings of MoO<sub>3</sub>/γ-Al<sub>2</sub>O<sub>3</sub> catalyst for sulfur-resistant methanation, a segmented plasma fluidized bed reactor was designed, where plasma discharge zone and the fluidization zone were separated under higher discharge power. At the bed height of 30 mm, the gas velocity of 0.10 m·s<sup>−1</sup> can provide a better fluidization state. The suitable discharge results can be achieved when the input power is 27 W and the discharge interval is 2.0 mm. With the extension of catalyst plasma treatment time, the conversion of CO decreases, but the selectivity of CH<sub>4</sub> increases. Combined with N<sub>2</sub> physical adsorption-desorption, XRD, TEM, Raman, TGA and TPR characterization, it was found that the active components of the catalyst are uniformly dispersed on the γ-Al<sub>2</sub>O<sub>3</sub> support. After plasma treatment, tetrahedral Mo species was used as the active center, and the interaction between Mo and the carrier was strengthened. It provides a novel approach for preparing catalyst with dielectric barrier discharge (DBD) fluidized bed reactor.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 142-150"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering hydrophilicity of graphene oxide membranes via poly(ionic liquid)s intercalation for efficient anion separation 通过多离子液体嵌入氧化石墨烯膜实现高效阴离子分离的工程亲水性
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2025.02.015
Rui Jia, Xingyun Li, Ruonan Tan, Zongliang Wan, Jiu Yang, Ziqiang Hong, Zheng Ji, Suixin Zhang, Jingjing Gu, Cenfeng Fu, Jin Ran
{"title":"Engineering hydrophilicity of graphene oxide membranes via poly(ionic liquid)s intercalation for efficient anion separation","authors":"Rui Jia,&nbsp;Xingyun Li,&nbsp;Ruonan Tan,&nbsp;Zongliang Wan,&nbsp;Jiu Yang,&nbsp;Ziqiang Hong,&nbsp;Zheng Ji,&nbsp;Suixin Zhang,&nbsp;Jingjing Gu,&nbsp;Cenfeng Fu,&nbsp;Jin Ran","doi":"10.1016/j.cjche.2025.02.015","DOIUrl":"10.1016/j.cjche.2025.02.015","url":null,"abstract":"<div><div>Two dimensional (2D) membranes show huge potential for ion sieving applications owing to their regular sub-nanometer channels. How to engineer the channel micro-chemistry to pursue higher ion selectivity while maintaining promising ion transports remains challenging. In this work, we propose building rigidly confined charged 2D graphene oxide (GO) channels and manipulating their hydrophilicity <em>via</em> self-designed poly(ionic liquid)s (PILs) intercalation. The imidazolium cations on the PILs backbone not only stabilize the GO interlayer channels <em>via</em> non-covalent interactions but also create a positively charged environment for attracting anions entering into channels. The hydrophilicity variations of the side chains on the PILs help with realizing the regulation of the channel hydrophilicity. Under the electrodialysis mode, the GO membrane with the strongest hydrophobicity yields an impressive selectivity of 172.2 for Cl<sup>−</sup> and SO<sub>4</sub><sup>2−</sup>, which is 48 times of Neosepta ACS, a commercial membrane specialized for anion separation. This work offers a brand-new route in exploring high-performance ion selective membranes.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 45-56"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanism of extracting poorly-caking components from Shenhua long-flame coal using [N4441][Cl] [N4441][Cl]萃取神华长焰煤中差结块组分的机理
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-05-01 DOI: 10.1016/j.cjche.2024.11.026
Shixian Fang, Ying Chen, Yutong Qian, Shulin Wang, Xiangchun Liu, Ping Cui
{"title":"Mechanism of extracting poorly-caking components from Shenhua long-flame coal using [N4441][Cl]","authors":"Shixian Fang,&nbsp;Ying Chen,&nbsp;Yutong Qian,&nbsp;Shulin Wang,&nbsp;Xiangchun Liu,&nbsp;Ping Cui","doi":"10.1016/j.cjche.2024.11.026","DOIUrl":"10.1016/j.cjche.2024.11.026","url":null,"abstract":"<div><div>The effects of different kinds of ionic liquids (ILs) on the caking property of Shenhua long-flame coal (SHLC) were studied. SHLC and its residue after [N<sub>4441</sub>][Cl] treatment under optimum conditions were characterized by Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TG), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and pyrolysis-gas chromatography and mass-spectrometric analysis (Py-GC/MS). The results showed that the ILs used could extract the poorly-caking components from SHLC, and [N<sub>4441</sub>][Cl] with C<sub>3</sub>H<sub>6</sub>O as a solvent exhibited the best effect among the ILs and solvents used. [N<sub>4441</sub>][Cl] could destroy the H bonds in SHLC, and the structure of the cross-linked macromolecules of SHLC was loosed, leading to the release of the small molecules within the macromolecular framework of SHLC. Additionally, [N<sub>4441</sub>][Cl] could easily penetrate into the interior of the relaxed SHLC and break the weak covalent bonds (<em>e.g.</em>, C‒O bonds) of the macromolecules of SHLC. As a result, aromatic hydrocarbons with 3‒5 rings and aliphatic side chains, which are the precursor of the poorly-caking components, were formed and were then extracted from SHLC by C<sub>3</sub>H<sub>6</sub>O. Consequently, [N<sub>4441</sub>][Cl] treatment could decrease the caking property, thermal ability, and macromolecular size of SHLC.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"81 ","pages":"Pages 57-63"},"PeriodicalIF":3.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
NO reduction performance of pyrolyzed biomass char: Effects of dechlorination removal pretreatments 热解生物质炭的NO还原性能:脱氯预处理的影响
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-04-01 DOI: 10.1016/j.cjche.2024.10.041
Jing Wang , Xinwei Yang , Ruiping Zhang , Fengling Yang , Frédéric Marias , Fei Wang
{"title":"NO reduction performance of pyrolyzed biomass char: Effects of dechlorination removal pretreatments","authors":"Jing Wang ,&nbsp;Xinwei Yang ,&nbsp;Ruiping Zhang ,&nbsp;Fengling Yang ,&nbsp;Frédéric Marias ,&nbsp;Fei Wang","doi":"10.1016/j.cjche.2024.10.041","DOIUrl":"10.1016/j.cjche.2024.10.041","url":null,"abstract":"<div><div>In the current era of renewable energy prominence, the wide operational capacity of coal-fired boilers has emerged as crucial for ensuring the sustainability of power plants. However, attaining ultra-low nitrogen oxides (NOx) emissions during periods of low-load operations presents a significant and persistent challenge for coal power enterprises. While techniques such as biomass re-burning and advanced re-burning have shown promise in enhancing NO reduction efficiency above 800 °C, their elevated levels of chlorine (Cl) and alkali metals pose potential risks to boiler equipment integrity. Therefore, this study proposes the utilization of biomass char derived from pyrolysis as a dual-purpose solution to enhance NO reduction efficiency while safeguarding boiler integrity during low-load operations. Findings indicate that pyrolysis treatment effectively reduces the Cl and alkali metal content of biomass. Specifically, it was determined that biomass char produced through deeply pyrolysis at 300 °C achieves the highest NO reduction efficiency while minimizing the presence of harmful components. At a reduction temperature of 700 °C, both re-burning and advanced re-burning techniques exhibit NO reduction efficiencies of 55.90% and 62.22%, which is already an ideal deficiency at low temperatures. The addition of water vapor at 700–800 °C obviously avoids the oxidation of ammonia to NO in advanced re-burning. Upon further analysis, denitrification efficiency in biomass char re-burning and advanced re-burning is influenced not only by volatile content but also by physicochemical properties such as porosity and surface functional group distribution under certain reaction conditions. This study provides a theoretical framework for the industrial implementation of biomass char for NO control in coal-fired power plants, offering insights into optimizing NO reduction efficiency while mitigating potential risks to boiler equipment.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 119-129"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hybrid modelling incorporating reaction and mechanistic data for accelerating the development of isooctanol oxidation 结合反应和机理数据的混合模型,加速异辛醇氧化的发展
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-04-01 DOI: 10.1016/j.cjche.2025.02.003
Xin Zhou , Ce Liu , Zhibo Zhang , Xinrui Song , Haiyan Luo , Weitao Zhang , Lianying Wu , Hui Zhao , Yibin Liu , Xiaobo Chen , Hao Yan , Chaohe Yang
{"title":"Hybrid modelling incorporating reaction and mechanistic data for accelerating the development of isooctanol oxidation","authors":"Xin Zhou ,&nbsp;Ce Liu ,&nbsp;Zhibo Zhang ,&nbsp;Xinrui Song ,&nbsp;Haiyan Luo ,&nbsp;Weitao Zhang ,&nbsp;Lianying Wu ,&nbsp;Hui Zhao ,&nbsp;Yibin Liu ,&nbsp;Xiaobo Chen ,&nbsp;Hao Yan ,&nbsp;Chaohe Yang","doi":"10.1016/j.cjche.2025.02.003","DOIUrl":"10.1016/j.cjche.2025.02.003","url":null,"abstract":"<div><div>Alcohol oxidation is a widely used green chemical reaction. The reaction process produces flammable and explosive hydrogen, so the design of the reactor must meet stringent safety requirements. Based on the limited experimental data, utilizing the traditional numerical method of computational fluid dynamics (CFD) to simulate the gas-liquid two-phase flow reactor can mitigate the risk of danger under varying working conditions. However, the calculation process is highly time-consuming. Therefore, by integrating process simulation, computational fluid dynamics, and deep learning technologies, an intelligent hybrid chemical model based on machine learning was proposed to expedite CFD calculations, enhance the prediction of flow fields, conversion rates, and concentrations inside the reactor, and offer insights for designing and optimizing the reactor for the alcohol oxidation system. The results show that the hybrid model based on the long and short-term memory neural network achieves 99.8% accuracy in conversion rate prediction and 99.9% accuracy in product concentration prediction. Through validation, the hybrid model is accelerated by about 360 times compared with instrumental analysis in conversion rate prediction and about 45 times compared with CFD calculation in concentration distribution prediction. This hybrid model can quickly predict the conversion rate and product concentration distribution in the gas-liquid two-phase flow reactor and provide a model reference for fast prediction and accurate control in the actual chemical production process.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 166-183"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Controllable prepared PDMS/SiO2/PVDF membrane for the separation of gaseous peppermint aromatic water 可控制备的PDMS/SiO2/PVDF膜用于气态薄荷芳香水的分离
IF 3.7 3区 工程技术
Chinese Journal of Chemical Engineering Pub Date : 2025-04-01 DOI: 10.1016/j.cjche.2025.01.006
Qin Liu , Yan Wang , Zhi Guo , Siyuan Wu , Wancheng Li , Chuanrun Li , Bo Wu
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