Chinese Journal of Chemical Engineering最新文献

{"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}

{"title":"Controllable prepared PDMS/SiO2/PVDF membrane for the separation of gaseous peppermint aromatic water","authors":"Qin Liu ,&nbsp;Yan Wang ,&nbsp;Zhi Guo ,&nbsp;Siyuan Wu ,&nbsp;Wancheng Li ,&nbsp;Chuanrun Li ,&nbsp;Bo Wu","doi":"10.1016/j.cjche.2025.01.006","DOIUrl":"10.1016/j.cjche.2025.01.006","url":null,"abstract":"<div><div>One of the main challenges in oil–water separation of traditional Chinese medicines (TCM) is to obtain essential oils from the aromatic water of TCM. In this study, silicon dioxide/polyvinylidene fluoride (SiO₂/PVDF) membranes were prepared using nonsolvent induce phase separation. Then polydimethylsiloxane (PDMS) was coated to obtain PDMS/SiO₂/PVDF membranes. Separated essential oils and water from aromatic water in the gaseous state by vapor permeation membrane separation technology. The relationship between membrane structure and membrane separation effect was investigated. Response surface methodology was used to develop a quadratic model for the separation factor, membrane permeation separation index and membrane preparation process. The optimal process parameters for the membrane separation were 12.31% (mass) concentration of PVDF solution, 9.6% (mass) of <em>N,N</em>-dimethylacetamide in the solidification bath, and 0.2 g hydrophobic nano-SiO₂ incorporation, with a separation factor of 14.45, and a membrane flux of 1203.04 g·m⁻²·h⁻¹. Compared with the PDMS/PVDF membranes, the separation factor and membrane flux were increased by 68.59% and 3.46%, respectively. Compared with the SiO₂/PVDF membranes, the separation factor and membrane flux were increased by 478% and 79.33%, respectively. Effectively mitigated the limitations of traditional polymer membrane material performance affected by the “trade-off” effect. Attenuated total internal reflection-Fourier transform infrared spectroscopy, contact angle, scanning electron microscopy and energy dispersive spectroscopy were used to characterize the PDMS/SiO₂/PVDF membranes, and gas chromatography was used to characterize the permeate. In addition, the contents of L-menthol, L-menthone, menthyl acetate and limonene in the permeate, conformed to the <em>European Pharmacopoeia standards</em>. This study provided an effective preparation strategy of a feasible hydrophobic powder polymer membrane for the separation of essential oils from gaseous peppermint aromatic water.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 11-23"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143746887","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}

{"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}

{"title":"Heterogeneously catalyzed self-condensation of n-butanal","authors":"Yaqi Qu,&nbsp;Hualiang An,&nbsp;Xinqiang Zhao,&nbsp;Yanji Wang","doi":"10.1016/j.cjche.2025.01.003","DOIUrl":"10.1016/j.cjche.2025.01.003","url":null,"abstract":"<div><div>The self-condensation of <em>n</em>-butanal is an important reaction for carbon-chain extension in the commercial production of 2-ethylhexanol. Moreover, aldol condensation is one of the important reactions for the synthesis of valuable organic chemicals or transportation fuels from biomass-derived platform compounds. So the investigation of the self-condensation of <em>n</em>-butanal is of significance in both academia and industry. This contribution reviewed the catalytic performance of heterogeneous catalysts in the self-condensation of <em>n</em>-butanal and the related reaction mechanism, network, and kinetics. The purpose of this review is to dedicate some help for further development of environmentally friendly catalysts and for a thorough comprehension of aldol condensation.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 89-99"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769189","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}

{"title":"Development of a capillary bundle evaporation advanced mathematical modeling for 1,2-propylene glycol–glycerin mixtures in porous media","authors":"Bingbing Li ,&nbsp;Jiantong Li ,&nbsp;Side Ren ,&nbsp;Shuo Gu ,&nbsp;Zhanjian Liu ,&nbsp;Liyan Liu","doi":"10.1016/j.cjche.2024.11.012","DOIUrl":"10.1016/j.cjche.2024.11.012","url":null,"abstract":"<div><div>Porous liquid-conducting micro-heat exchangers have garnered considerable attention for their role in efficient heat dissipation in small electronic devices. This demand highlights the need for advanced mathematical models to optimize the selection of mixed heat exchange media and equipment design. A capillary bundle evaporation model for porous liquid-conducting media was developed based on the conjugate mass transfer evaporation rate prediction model of a single capillary tube, supplemented by mercury injection experimental data. Theoretical and experimental comparisons were conducted using 1,2-propanediol–glycerol (PG–VG) mixtures at molar ratios of 1:9, 3:7, 5:5, and 7:3 at 120, 150, and 180 °C. The Jouyban–Acree model was implemented to enhance the evaporation rate predictions. For the 7:3 PG–VG mixture at 180 °C under the experimental conditions of the thermal medium, the model’s error reduced from 16.75% to 10.84% post-correction. Overall, the mean relative error decreased from 11.76% to 5.98% after correction.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 261-273"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785603","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}

{"title":"Preparation and extrusion of ZSM-5 based on biomass templates for enhanced mechanical properties and catalytic pyrolysis performance","authors":"Meiting Guo ,&nbsp;Youting Wang ,&nbsp;Ziliang Xie ,&nbsp;Kok bing Tan ,&nbsp;Fangsong Guo ,&nbsp;Kang Sun ,&nbsp;Jianchun Jiang ,&nbsp;Guowu Zhan","doi":"10.1016/j.cjche.2024.12.013","DOIUrl":"10.1016/j.cjche.2024.12.013","url":null,"abstract":"<div><div>The fabrication of monolithic ZSM-5 catalysts <em>via</em> extrusion is pivotal for industrial catalytic processes; nevertheless, the addition of adhesives might affect their catalytic performance. Herein, the rice husk-derived bio-SiO₂, serving as a silicon source and natural adhesive, was introduced in the synthesis and extrusion of ZSM-5 catalysts denoted as BioZSM-5, thereby enhancing their industrial viability and catalytic performance. The f-n-BioZSM-5 (obtained by extrusion of n-BioZSM-5) showcased enhanced butene and pentene selectivity, exhibiting robust stability, achieving an impressive 84.8% olefin selectivity (over 10 cycles). The biomass template significantly improved porosity, acidity, and anti-coking properties. Moreover, the f-n-BioZSM-5 exhibited a compressive strength 4.3 times superior to that of f-n-ZSM-5 without using bio-template, achieving better abrasion resistance and enhanced mechanical properties even using 1/3 of the adhesive dosage. These results will provide valuable guidance for developing shaped zeolite catalysts for industrial catalytic pyrolysis applications, especially for the production of olefin from fatty acids.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 47-60"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769285","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}

{"title":"One-step synthesis of caged hydrocarbon fuel via photoinduced intramolecular cycloaddition of 5-vinyl-2-norbornene","authors":"Zhengyang Liu ,&nbsp;Xianlong Liu ,&nbsp;Shuang Ma ,&nbsp;Xiaolei Guo ,&nbsp;Minhua Ai ,&nbsp;Chengxiang Shi ,&nbsp;Zhenfeng Huang ,&nbsp;Xiangwen Zhang ,&nbsp;Jijun Zou ,&nbsp;Lun Pan","doi":"10.1016/j.cjche.2025.02.005","DOIUrl":"10.1016/j.cjche.2025.02.005","url":null,"abstract":"<div><div>Photocycloaddition affords opportunities to engage in advanced fuels with high-strained cyclobutyl-containing structures. Herein, the one-step route for the synthesis of high-energy-density caged fuel, tetracyclo [4.2.1.0^2,5.0^3,7]nonane (TCN) with high-strained four-membered structure, has been developed <em>via</em> photosensitized [2 + 2] cycloaddition of 5-vinyl-2-norbornene (VNB). The reaction conditions are optimized to obtain a high conversion of VNB of 91.9%. The triplet quenching and Stern-Volmer quenching studies indicate that [2 + 2] photocycloaddition follows the triplet-triplet energy transfer process, and a kinetic model is expressed as a reaction rate equation correlated with the incident light flux. Importantly, the obtained TCN shows a high density of 1.003 g·cm⁻³ and volumetric net heat of combustion of 42.31 MJ·L⁻¹, which can serve as an excellent high-energy additive for blending with liquid fuels.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 61-69"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769286","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}

{"title":"Degradation performance and mechanism of plasma-activated persulfate for environmental persistent pollutants","authors":"Yu Duan ,&nbsp;Bingyan Dong ,&nbsp;Xueyi Zhi ,&nbsp;Zhendong Li ,&nbsp;Peixiang Wang ,&nbsp;Yanwen Tan ,&nbsp;Qin Zhang","doi":"10.1016/j.cjche.2024.10.031","DOIUrl":"10.1016/j.cjche.2024.10.031","url":null,"abstract":"<div><div>This study comprehensively investigates the degradation performance and mechanism of environmental persistent pollutants (EPs) by combining experimental and theoretical calculations with dielectric barrier discharge (DBD) plasma synergized with persulfate. The findings demonstrated that DBD plasma could generate reactive radicals, including ·OH, ¹O₂ and <span><math><mo>·</mo><msubsup><mi>O</mi><mn>2</mn><mo>−</mo></msubsup></math></span>, which primarily activate persulfate through ·OH and <span><math><mo>·</mo><msubsup><mi>O</mi><mn>2</mn><mo>−</mo></msubsup></math></span> to produce the potent oxidizing radical SO₄⁻·. This process facilitated enhanced degradation and mineralization of MeP wastewater. The performance of DBD/persulfute (PS) in degrading MeP was evaluated by kinetics, energy efficiency, and co-factor calculations, combined with degradation under different influencing factors. The actives in the system were analyzed by free radical scavenging assays and UV spectrophotometric testing to determine their effects. The findings indicated that persulfate was effectively activated by DBD plasma and that <span><math><mo>·</mo><msubsup><mi>O</mi><mn>2</mn><mo>−</mo></msubsup></math></span> played a significant role. The presence of persulfate elevated the levels of H₂O₂ and O₃ in the solution. The intermediates formed during the degradation of MeP were detected using LC-MS and then analyzed alongside density-functional theory (DFT) chemical predictions to anticipate the reactive sites and deduce the potential degradation pathways of methylparaben (MeP). Toxicity evaluation software confirmed that the PS/DBD system reduces acute and developmental toxicity in the water column. The study showed that DBD plasma-activated persulfate was successful in addressing newly identified contaminants.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 155-165"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776764","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}

{"title":"Molecular insights into the fast hydrate formation in active ice","authors":"Jinrong Duan ,&nbsp;Limin Wang ,&nbsp;Peng Xiao ,&nbsp;Bei Liu ,&nbsp;Zhi Li ,&nbsp;Guangjin Chen","doi":"10.1016/j.cjche.2024.11.025","DOIUrl":"10.1016/j.cjche.2024.11.025","url":null,"abstract":"<div><div>Molecular dynamics simulations were performed to study the microscopic working mechanism of fast hydrate formation from active ice. We successfully simulated the cyclic process of ice melt-hydrate formation-ice melt. The simulation results showed that active ice could significantly accelerate the formation of hydrates and exhibit high gas storage capacity. The oxygen atoms of the sulfate group in SDS formed hydrogen bonds with the hydrogen atoms of water molecules in the ice, destroying the orderly arranged structures of the ice surface. SDS also acted as a promoter to accelerate the mass transfer of guests in the liquid phase, thereby promoting the nucleation and growth of hydrates. The ordered structures of liquid phase formed by ice melting and the formation of cage-like structures facilitated by ice surface defects were beneficial to the nucleation and growth of hydrates. The formation of the hydrate shell accelerated the migration of the guests from the gas phase to the liquid phase. As the ice continued to melt, sufficient guests and water molecules ensured the stable growth of hydrates.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 198-212"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776767","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}

{"title":"Enhancing wastewater treatment efficiency with stereoscopic hydrogel evaporators and renewable energy integration for sustainability","authors":"Cunxiao Wang ,&nbsp;Yue Tian ,&nbsp;Yonghang Yu ,&nbsp;Liang Wang ,&nbsp;Guangmiao Qu ,&nbsp;Shengyang Yang","doi":"10.1016/j.cjche.2024.12.009","DOIUrl":"10.1016/j.cjche.2024.12.009","url":null,"abstract":"<div><div>Enhancing wastewater treatment efficiency through innovative technologies is paramount in addressing global environmental challenges. This study explores utilizing stereoscopic hydrogel evaporators combined with renewable energy sources to optimize wastewater treatment processes. A cross-linked super absorbent polymer (SAP) hydrogel was synthesized using acrylic acid and 2-hydroxyethyl methacrylate monomers and integrated with a light-absorbing carbon membrane to form a solar-assisted evaporator (MSAP). The MSAP achieved a high evaporation rate of 3.08 kg m⁻²·h⁻¹ and a photothermal conversion efficiency of 94.27%. It demonstrated excellent removal efficiency for dye-polluted wastewater, significantly reducing concentrations of pollutants. The MSAP maintained high performance in outdoor conditions, showcasing its potential for real-world applications. This approach, incorporating both solar and wind energy, significantly boosts water evaporation rates and presents a promising, eco-friendly solution for sustainable wastewater treatment within the circular development framework.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"80 ","pages":"Pages 38-46"},"PeriodicalIF":3.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769190","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}