Chemical Engineering Research & Design最新文献

筛选
英文 中文
A wavy-parallel flow field channel for a bipolar plate of a lightweight metallic proton exchange membrane fuel cell 轻型金属质子交换膜燃料电池双极板的波浪平行流场通道
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-16 DOI: 10.1016/j.cherd.2026.06.030
Teuku Muhammad Naufal Ramadhan, Mohd Shahbudin Masdar, Edy Herianto Majlan, Lim Bee Huah, Teuku Husaini
{"title":"A wavy-parallel flow field channel for a bipolar plate of a lightweight metallic proton exchange membrane fuel cell","authors":"Teuku Muhammad Naufal Ramadhan,&nbsp;Mohd Shahbudin Masdar,&nbsp;Edy Herianto Majlan,&nbsp;Lim Bee Huah,&nbsp;Teuku Husaini","doi":"10.1016/j.cherd.2026.06.030","DOIUrl":"10.1016/j.cherd.2026.06.030","url":null,"abstract":"<div><div>This study compares a wavy parallel flow field (WPFF) to a conventional parallel flow field (PFF) on a thin metallic bipolar plate (BP) by 3D computational fluid dynamics (CFD). Additionally, the performance of WPFF single-channel cells with different channel depths was evaluated under identical operating conditions. Based on results, it shows that CFD simulations for thin metallic WPFF can be experimentally validated and thus used to predict the real operating conditions of the BP. Decreasing the channel depth slightly improved the current density and, consequently, its power density, while also increasing the pressure drop. The WPFF single-channel model produces maximum power densities within 0.262 W/cm<sup>2</sup> to 0.297 W/cm<sup>2</sup> for channel depths from 0.35 mm to 0.15 mm. Moreover, the WPFF design offers slight power density advantages over the PFF design, especially at lower voltages. WPFF and PFF single-channel models produce maximum power densities of 0.276 W/cm<sup>2</sup> and 0.266 W/cm<sup>2</sup>, respectively. Furthermore, the full model single-cell WPFF and CFD produced power densities of 0.157 W/cm<sup>2</sup> and 0.158 W/cm<sup>2</sup> at 0.58 V, respectively. These findings demonstrate the viability of a WPFF design for a thin metallic BP in a lightweight PEMFC.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 438-448"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452785","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
From fate to removal: A review of chlorine in steel smelting wastes 从命运到去除:炼钢废渣中氯的研究进展
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-05-17 DOI: 10.1016/j.cherd.2026.05.025
Jinmei Fang, Jia Tian, Longhua Xu
{"title":"From fate to removal: A review of chlorine in steel smelting wastes","authors":"Jinmei Fang,&nbsp;Jia Tian,&nbsp;Longhua Xu","doi":"10.1016/j.cherd.2026.05.025","DOIUrl":"10.1016/j.cherd.2026.05.025","url":null,"abstract":"<div><div>Chlorine (Cl) in steel smelting wastes seriously restricts resource reutilization and poses significant environmental risks. During pyrometallurgical recovery of valuable metals, Cl promotes the formation of hydrogen chloride (HCl), leading to equipment corrosion, while chlorinated wastewater generated after smelting can cause severe water pollution. This study presents the first systematic review of Cl sources, transformation behavior, Cl-bearing smelting wastes, and Cl removal methods in steel smelting wastes. Based on industrial data, differences in Cl content of smelting raw materials across countries are analyzed, providing a basis for optimizing feed composition and process control. During ironmaking and steelmaking, chlorides are released at high temperatures as HCl and volatile metal chlorides, which are subsequently captured by dust collection systems to form Cl-containing smelting wastes; among these, sintering dust generally exhibits the highest Cl content. For Cl removal, organic chlorides in solid wastes are mainly treated by thermal methods, whereas inorganic chlorides are commonly removed by leaching. In wastewater treatment, precipitation remains the most widely used approach because of its simplicity and effectiveness, although it produces considerable chemical sludge. Developing green, selective, and cost-effective Cl removal technologies remains a key research priority.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 517-531"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452793","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
Precise dye/salt separation of a novel high-flux TFC membrane designed with carbon quantum dots as aqueous monomers 以碳量子点为水单体设计的新型高通量TFC膜的染料/盐精确分离
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-12 DOI: 10.1016/j.cherd.2026.06.024
Haoxin Zhou, William W. Liu, Fangbo Zhao, Chengbao Geng, Liu Yang, Ziyang Liu, Yushi Mei
{"title":"Precise dye/salt separation of a novel high-flux TFC membrane designed with carbon quantum dots as aqueous monomers","authors":"Haoxin Zhou,&nbsp;William W. Liu,&nbsp;Fangbo Zhao,&nbsp;Chengbao Geng,&nbsp;Liu Yang,&nbsp;Ziyang Liu,&nbsp;Yushi Mei","doi":"10.1016/j.cherd.2026.06.024","DOIUrl":"10.1016/j.cherd.2026.06.024","url":null,"abstract":"<div><div>This study addresses the urgent need for advanced treatment and resource recovery of textile wastewater by developing a thin-film composite (TFC) membrane capable of efficient dye/salt separation. Using amino-functionalized carbon quantum dots (CQDs-NH<sub>2</sub>) as the aqueous monomers, a separation layer was constructed on a polyethersulfone (PES) ultrafiltration support via interfacial polymerization. The effects of CQDs-NH<sub>2</sub> concentration on the structure and separation efficiency of the selective layer were systematically investigated. The results demonstrate that employing CQDs-NH<sub>2</sub> as the aqueous monomers facilitates the creation of a novel, defect-free filtration layer with both good pollutants separation and water permeation properties. In dye/salt mixed system, the membrane M-0.02 exhibited an outstanding separation selectivity, achieving a Congo Red (CR) rejection of 99.41% while maintaining a minimal NaCl rejection rate of −0.76%, resulting in a CR/NaCl separation factor of 170.8. Simultaneously, it demonstrated a pure water flux of 337.5 LMH under a pressure of 0.2 MPa, realizing precise sieving under high flux conditions. Furthermore, the membrane M-0.02 showed a rejection performance of 98.18% for 100 ppm humic acid (HA) and achieved a 79.84% removal rate for chroma pollutants in printing and dyeing wastewater, confirming its strong potential in textile wastewater desalination and dye recovery.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 284-292"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452862","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
Comparative analysis of sampling methods in simplicial homology global optimization for improving the plasticizing process in injection molding 改进注射成型塑化工艺的简单同源全局优化取样方法的比较分析
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-16 DOI: 10.1016/j.cherd.2026.06.033
S. Schaufler, M. Panholzer, T. Köpplmayr, D. Altmann, U. Steiner, G.R. Berger-Weber
{"title":"Comparative analysis of sampling methods in simplicial homology global optimization for improving the plasticizing process in injection molding","authors":"S. Schaufler,&nbsp;M. Panholzer,&nbsp;T. Köpplmayr,&nbsp;D. Altmann,&nbsp;U. Steiner,&nbsp;G.R. Berger-Weber","doi":"10.1016/j.cherd.2026.06.033","DOIUrl":"10.1016/j.cherd.2026.06.033","url":null,"abstract":"<div><div>Optimizing the plasticizing process in injection molding increases efficiency by decreasing (i) melt temperature, which reduces cooling and cycle times, and (ii) torque, which minimizes energy consumption. With growing computational power, digital process optimization becomes increasingly practicable, but the optimization and sampling methods available differ in accuracy, computation time, and suitability for specific problem dimensionalities. Most studies investigating numerical optimization have focused on high-dimensional sampling; polymer processing, however, typically involves only a few key variables. Thus, a systematic assessment of SHGO sampling strategies for low-dimensional polymer processing problems remains lacking. We therefore concentrated on simplicial homology global optimization (SHGO) to optimize melt temperature and specific mechanical energy input, as this method constructs a simplicial complex to explore the design space and covers it more uniformly than other optimization methods while remaining computationally feasible, especially for low-dimensional problems (≤ 10 dimensions). In contrast to existing SHGO applications, this study provides a comparative evaluation of different SHGO sampling methods specifically for low-dimensional (2D and 4D) plasticizing process optimization. Our study systematically assessed three sampling methods within SHGO, Sobol, Halton, and hypercube triangulation, in two- and four-dimensional parameter spaces, considering circumferential screw speed, mass flow rate, and axial temperature profile. Modeling used the JKU S3 Screw Simulation Software, which provides performance assessments in under two minutes per point. All methods were evaluated in terms of computational efficiency, run time, coverage of the search space and optimization performance, with Bayesian optimization as a reference benchmark. The results show that SHGO with the hypercube triangulation sampling yields the best optimization results in both 2D and 4D problems for melt temperature and SME minimization, while the optimization combine with Sobol sampling achieves comparable solution quality but requires a higher number of sampling points, and Halton sampling seems to tend to variability in optimization, leading to inferior results. These results demonstrate that optimization performance depends on both problem dimensionality and optimization objectives, providing specific guidance on method selection for low dimensional plasticizing process optimization.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 679-692"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148453249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Long-chain normal paraffin (C10-C13) dehydrogenation over the commercial NDC-10 catalyst (Pt-Sn-K-Mg/Al2O3): An intrinsic kinetic study 商用NDC-10催化剂(Pt-Sn-K-Mg/Al2O3)上长链正构烷烃(C10-C13)脱氢动力学研究
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-28 DOI: 10.1016/j.cherd.2026.06.056
Sayed Shahab Hosseini, Ataallah Sari, Amir Rahimi
{"title":"Long-chain normal paraffin (C10-C13) dehydrogenation over the commercial NDC-10 catalyst (Pt-Sn-K-Mg/Al2O3): An intrinsic kinetic study","authors":"Sayed Shahab Hosseini,&nbsp;Ataallah Sari,&nbsp;Amir Rahimi","doi":"10.1016/j.cherd.2026.06.056","DOIUrl":"10.1016/j.cherd.2026.06.056","url":null,"abstract":"<div><div>A crucial challenge in reactor design and process optimization for long-chain normal paraffin dehydrogenation is the scarcity of reliable kinetic data. To address this gap, a comprehensive intrinsic kinetic study was performed over the industrial NDC-10 catalyst using two hydrocarbon feeds in a tubular packed-bed reactor. Experiments were conducted at 460–490 °C, 1.1–2.1 <em>barg</em> <!-->, hydrogen-to-hydrocarbon molar ratios of 3:1–7:1, and space velocities of 25–45 <em>h</em><sup>−1</sup>. The effects of operating conditions were evaluated in terms of conversion, selectivity, and yield. A detailed reaction network encompassing distinct pathways for paraffins, mono-olefins, di-olefins, and aromatics (C<sub>10</sub>-C<sub>13</sub>) was developed. Based on 78 experiments, kinetic and thermodynamic parameters were estimated via inverse modeling using a plug-flow reactor model and the Nelder–Mead optimization method. The enthalpy change and activation energy for paraffin dehydrogenation reactions were determined as 121.63–124.52 <em>kJ </em>mol<sup>−1</sup> and 137.42–144.71 <em>kJ </em>mol<sup>−1</sup>, respectively, confirming the thermodynamic consistency of the estimated values. Higher-molecular-weight paraffins exhibited lower activation energies and higher conversions, accompanied by reduced mono-olefin selectivity due to enhanced consecutive side reactions at elevated conversions. The resulting kinetic and thermodynamic parameters enable reliable modeling, design, and optimization of radial-flow packed-bed reactors used in the paraffin dehydrogenation process.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 711-723"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148458517","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
Intensification of mixing in industrial-scale gas-liquid stirred tank reactor based on CFD simulation 基于CFD模拟的工业规模气液搅拌槽式反应器混合强化
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-20 DOI: 10.1016/j.cherd.2026.06.040
Xuezhi Zhao, Yin Liang, Gaobo Lin, Xiuna Yang, Wulong Yang, Mian Li, Bolong Li, Jianghao Wang, Xiuyang Lu, Haoan Fan, Ke-Jun Wu, Jie Fu
{"title":"Intensification of mixing in industrial-scale gas-liquid stirred tank reactor based on CFD simulation","authors":"Xuezhi Zhao,&nbsp;Yin Liang,&nbsp;Gaobo Lin,&nbsp;Xiuna Yang,&nbsp;Wulong Yang,&nbsp;Mian Li,&nbsp;Bolong Li,&nbsp;Jianghao Wang,&nbsp;Xiuyang Lu,&nbsp;Haoan Fan,&nbsp;Ke-Jun Wu,&nbsp;Jie Fu","doi":"10.1016/j.cherd.2026.06.040","DOIUrl":"10.1016/j.cherd.2026.06.040","url":null,"abstract":"<div><div>Efficient gas-liquid dispersion in stirred tank reactor is critical yet challenging, especially at the industrial scale. Conventional methods, including gas spargers, surface aerators and hollow self-inducing impellers, suffer from low gas utilization and high energy consumption. This research proposes a novel aeration strategy combining a gas sparger with a hollow self-inducing impeller, enhancing dispersion uniformity and mixing efficiency. Computational fluid dynamics (CFD) simulations systematically investigated the influence of maltose concentration, impeller speed, gas flow rate, and feeding location on reactor mixing performance. The combined aeration approach enhanced gas holdup by up to 24.8% and reduced mixing time by 6.1% compared to traditional methods, with marked improvements observed in critical reactor regions. The Extreme Gradient Boosting (XGB) model was developed to accurately predict key performance indicators, enabling real-time optimization while highlighting the potential of machine learning to improve process control and efficiency in gas-liquid systems.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 424-437"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452784","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
In-situ evaluation of the effect of fine-particle addition on battery performance 细颗粒添加对电池性能影响的原位评价
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-27 DOI: 10.1016/j.cherd.2026.06.045
Saki Katayama, Noriko Akiyama, Motoshi Iwao, Shuji Ohsaki, Hideya Nakamura, Satoru Watano
{"title":"In-situ evaluation of the effect of fine-particle addition on battery performance","authors":"Saki Katayama,&nbsp;Noriko Akiyama,&nbsp;Motoshi Iwao,&nbsp;Shuji Ohsaki,&nbsp;Hideya Nakamura,&nbsp;Satoru Watano","doi":"10.1016/j.cherd.2026.06.045","DOIUrl":"10.1016/j.cherd.2026.06.045","url":null,"abstract":"<div><div>All-solid-state lithium-ion batteries are attracting attention as next-generation automotive batteries owing to their improved safety. They are typically fabricated by compressing powder-based electrodes. Sufficient densification of the electrode layers is crucial for achieving high electrochemical performance. In this study, an in situ measurement method was developed to evaluate the effect of pressure on battery performance during the compression process, enabling continuous electrochemical assessment using a single cell. Using this method, electrode densification during compression was investigated as an effective approach to enhance battery capacity using sulfide-based solid electrolytes (SSEs) with different particle sizes. After cathodes were fabricated with different fractions of small SSE particles, their electrochemical performance and internal structures were systematically investigated. Both the discharge capacity and relative density of the cathode layer peaked at a small SSE fraction of 25%. Furthermore, microstructural analysis revealed that this composition provided optimal dispersion and interparticle contact of the active material, which improved electrochemical reactions. The results demonstrated that the appropriate addition of fine SSE particles promoted densification and significantly enhanced battery performance. These findings provide practical guidelines for optimizing the electrode design and fabrication conditions for high-performance all-solid-state lithium-ion batteries.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 612-619"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452790","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
Twin screw extrusion in formulated product manufacturing I – Twin screw granulation 配方产品制造中的双螺杆挤出-双螺杆造粒
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-10 DOI: 10.1016/j.cherd.2026.06.016
Chao Zheng, Shigang He, Hengqian Wu, Yihan Xu, Yanping He, Zhengping Wang, Jun Han, Chuan-Yu Wu
{"title":"Twin screw extrusion in formulated product manufacturing I – Twin screw granulation","authors":"Chao Zheng,&nbsp;Shigang He,&nbsp;Hengqian Wu,&nbsp;Yihan Xu,&nbsp;Yanping He,&nbsp;Zhengping Wang,&nbsp;Jun Han,&nbsp;Chuan-Yu Wu","doi":"10.1016/j.cherd.2026.06.016","DOIUrl":"10.1016/j.cherd.2026.06.016","url":null,"abstract":"<div><div>Twin screw extrusion (TSE) has established itself as an effective technology for the continuous manufacturing of oral solid dosage forms, owing to its superior mixing efficiency, modular screw design, and precise process control. Its adoption in the pharmaceutical industry has been significantly accelerated by regulatory initiatives, promoting Quality by Design (QbD) and continuous manufacturing. TSE is primarily adopted for two key applications: twin screw granulation (TSG) for agglomerating powders and hot-melt extrusion (HME) for producing amorphous solid dispersions (ASDs) to enhance the bioavailability of poorly water-soluble drugs. This review focuses on TSG aiming to provide a comprehensive and critical evaluation of the application of TSE in granulation, especially on how the complex flow fields, intense shear stresses, and controlled residence times generated within the extruder govern critical quality attributes (CQAs) including granule size, density, porosity, and mechanical strength. The review further discusses emerging trends and future perspectives of TSG, highlighting the advances in mechanistic modelling for accelerated product and process development, as well as the implementation of digital twins for real-time monitoring, predictive process control, and closed-loop manufacturing.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 236-250"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148452865","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
Flow alignment-informed method for compartmental modelling of multiphase flows 多相流分区建模的流向定向方法
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-17 DOI: 10.1016/j.cherd.2026.06.011
Alexandru Andrei Vasile, Marc Gordon Aucoin, Hector Budman, Nasser Mohieddin Abukhdeir
{"title":"Flow alignment-informed method for compartmental modelling of multiphase flows","authors":"Alexandru Andrei Vasile,&nbsp;Marc Gordon Aucoin,&nbsp;Hector Budman,&nbsp;Nasser Mohieddin Abukhdeir","doi":"10.1016/j.cherd.2026.06.011","DOIUrl":"10.1016/j.cherd.2026.06.011","url":null,"abstract":"<div><div>Many chemical engineering applications, spanning wastewater treatment to pharmaceutical production, are inherently multiphase reacting systems. Advances in process systems engineering (PSE), including the design, control, and optimization of these processes, increasingly rely on detailed computational multiphysics (CMP) simulations that capture coupled chemical reactions and multiphase mass transport. However, these simulations are computationally challenging and frequently infeasible due to the vastly different timescales between hydrodynamics and (bio)chemical reactions. Compartmental modelling methods are a class of promising reduced-order modelling approaches that may close the gap between detailed CMP simulations and reduced-complexity simulations required for advanced PSE. This work presents a novel extension of a single-phase, two-dimensional, <em>flow-alignment</em>-based compartment modelling method to capture multiphase flow hydrodynamics in three dimensions, including interphase mass transfer. The formulation and validation of the method are focused on bubbly flows in an industrial-scale (<span><math><mrow><mn>30</mn><mtext>m</mtext><msup><mrow></mrow><mrow><mi>3</mi></mrow></msup></mrow></math></span>) bioreactor due to the availability of experimental data. Performance is compared to previously presented alternative compartmental modelling methods. The validation study shows that the method achieves good agreement with experimental data without requiring any scenario-specific model customization or manual <em>ad hoc</em> intervention, while executing four orders of magnitude faster than equivalent CMP simulations. The outcomes of this work show the potential of the presented method as a practical tool for PSE applications that require fast computation, such as design optimization and real-time process monitoring and control.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 744-759"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148453287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Kinetic study of the esterification of propionic acid and ethanol catalyzed by ionic liquid 1-sulfopropyl-3-methylimidazole p-toluene sulfonic acid 离子液体1-磺丙基-3-甲基咪唑对甲苯磺酸催化丙酸与乙醇酯化反应动力学研究
IF 4 3区 工程技术
Chemical Engineering Research & Design Pub Date : 2026-07-01 Epub Date: 2026-06-29 DOI: 10.1016/j.cherd.2026.06.058
Ying Qiao, Xiuyu Zhang, Yun Zou, Qurat Ul Ain, Ruining He, Zhangfa Tong
{"title":"Kinetic study of the esterification of propionic acid and ethanol catalyzed by ionic liquid 1-sulfopropyl-3-methylimidazole p-toluene sulfonic acid","authors":"Ying Qiao,&nbsp;Xiuyu Zhang,&nbsp;Yun Zou,&nbsp;Qurat Ul Ain,&nbsp;Ruining He,&nbsp;Zhangfa Tong","doi":"10.1016/j.cherd.2026.06.058","DOIUrl":"10.1016/j.cherd.2026.06.058","url":null,"abstract":"<div><div>Ethyl propionate (EtPr) is an important organic compound in the chemical industry. Conventionally, EtPr is synthesized via esterification of propionic acid (PrAc) and ethanol (EtOH) with concentrated sulfuric acid as the catalyst. Nevertheless, this conventional route suffers from multiple drawbacks, including low reactant conversion, severe equipment corrosion, and hazardous environmental pollution. Accordingly, exploring novel eco-friendly catalysts is highly desirable. In this work, a Brönsted acid ionic liquid (BAIL), 1-sulfopropyl-3-methylimidazole p-toluene sulfonic acid ([HSO<sub>3</sub>-PMIM][PTSA]), was selected as the catalyst for the esterification reaction to produce EtPr from PrAc and EtOH. TGA, DSC, <sup>1</sup>H NMR, and FTIR were used to characterize [HSO<sub>3</sub>-PMIM][PTSA]. Meanwhile, the COSMO software was employed to calculate the σ-potential of all the components of the reaction system. Furthermore, the reusability and corrosive property of this IL catalyst were systematically evaluated. Reaction kinetic measurements were carried out to investigate the influences of catalyst concentration, reaction temperature, and initial PrAc/EtOH molar ratio on PrAc conversion. The NIH-M kinetic model was applied to correlate the experimental data and derive the corresponding esterification kinetic equation. A low mean squared error (MSE) of 1.19 × 10<sup>−3</sup> between model-fitted values and experimental observations was obtained, which verifies the reliable fitting capability and satisfactory precision of the NIH-M model. This study indicates that [HSO<sub>3</sub>-PMIM][PTSA] is a promising candidate catalyst for industrial esterification synthesis of EtPr.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"231 ","pages":"Pages 724-732"},"PeriodicalIF":4.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148458519","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书