Industrial & Engineering Chemistry Research最新文献

{"title":"Spatially Resolved Reaction Calorimetry and Fouling Monitoring in a Continuous Tubular Emulsion Polymerization Reactor","authors":"Maria Klippert,&nbsp; and ,&nbsp;Werner Pauer*,&nbsp;","doi":"10.1021/acs.iecr.5c02548","DOIUrl":"10.1021/acs.iecr.5c02548","url":null,"abstract":"<p >A modular flow reactor setup for the continuous emulsion copolymerization of vinyl acetate and vinyl-neodecanoate has been fitted with Distributed Optical Fiber Sensors (DOFS) based on Rayleigh backscatter and instream thermocouples. After segmentwise calibration of the DOFS for temperature measurement, they were used as sensors for online thermal analysis in the reactor. Calorimetric analysis and thermal conversion determination were conducted online during the reaction using the DOFS as spatially distributed temperature sensors, which span the length of the reactor. Three DOFS in the reactor wall at different diameters enable the quantitative calculation of the thermal energy transferred between the DOFS and therefore determine the heat transport through the reactor wall. In experiments with heated water, the radial heat loss for reference values from 2 to 9 W could be determined with an accuracy of 0.39 W. The sensor-equipped tubular reactor (length 1.95 m) was used for the emulsion copolymerization of vinyl acetate and vinyl-neodecanoate with a redox-initiator reactive at room temperature (RT). The quick and intense fouling process of the reaction could be reflected in the thermal measurements. From the immediate shifting of the reaction hotspot (length of highest monomer conversion) downstream, it could be deduced that the chosen reaction does not have an induction period pertaining to fouling. The broadness of the hotspot and the maximum hotspot temperature <i>T</i>_max could be monitored during the reaction. Due to the fouling constricting available reactor volume at constant feed rate, the hotspot became broader with time and <i>T</i>_max dropped. The drop of <i>T</i>_max could be tracked especially well with the DOFS in the wall, in comparison to the thermocouples instream, and it is deduced to be a useful parameter for fouling monitoring. The heat released from the reaction was calculated using the thermocouples instream for axially transported heat and the DOFS for radially transported heat. It could be seen clearly that during the times <i>T</i>_max was not aligned with one of the six thermocouples, the axial heat was estimated as too low. The radial heat measurement had a high spatial resolution of the DOFS (0.26 cm) and always captured <i>T</i>_max. During good alignment of <i>T</i>_max and one of the six thermocouples, the calculated total reaction heat was 35.3 W or a 79 ±3% monomer conversion. This correlates well with the gravimetrical conversion measurement, averaging 78 ±2% conversion for that time frame in the range of 8–16 dimensionless residence times.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 41","pages":"19817–19830"},"PeriodicalIF":3.9,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.5c02548","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235384","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}

{"title":"Mastering Rheology: A Strategic and Practical Guide for Empowering All Users","authors":"Khushboo Suman","doi":"10.1021/acs.iecr.5c03263","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03263","url":null,"abstract":"Rheology, the study of flow, plays a vital role in diverse industries such as pharmaceuticals, cosmetics, and food. In this work, we provide a comprehensive introduction to fundamental rheological experiments and offer a strategic approach towards understanding the rheological behavior of any soft condensed material. We emphasize the importance of design of a good rheological experiment, input parameter, and analysis of the obtained output parameter. Through the standard design of the experiment and systematic conduction of rheological experiments, we can estimate a broad range of rheological parameters such as viscosity, modulus, stability, yield stress, and nonlinear behavior of the material. Furthermore, we also discuss methods for detecting and good practices for reducing some of the common experimental errors that may arise. We also present a comprehensive range of advanced rheological characterization techniques that can be pursued to gain deeper insights into the mechanical and structural evolution of soft materials. Through this work, we attempt to make rheology more accessible to researchers from various domains to incorporate rheology into their characterization studies and enable them to confidently navigate rheological studies and contribute to material development.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"20 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235350","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":"Thermal Decomposition of Ammonium Bicarbonate","authors":"Alexander C. Resentera, Sofía Gómez, Mario H. Rodriguez, Melina V. Cozzarin","doi":"10.1021/acs.iecr.5c02795","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02795","url":null,"abstract":"The thermal decomposition of ammonium bicarbonate (NH₄HCO₃) is relevant in numerous industrial and technological applications due to its ability to release gaseous products without leaving solid residues. This work presents a comprehensive kinetic and morphological study of its decomposition using nonisothermal differential scanning calorimetry (DSC) and complementary characterization techniques. Multiple heating programs were analyzed using the Friedman isoconversional method and combined kinetic analysis to build a predictive kinetic model. The results indicate that decomposition proceeds from ∼75 °C through a single endothermic step, releasing NH₃, CO₂, and H₂O. The kinetic parameters obtained were an apparent activation energy of 101 kJ/mol and a ln(<i>A</i>/s^–1) = 28.1. The optimized truncated Šesták–Berggren kinetic model, (1 – α)^0.54α^0.17, suggests a mechanism dominated by nucleation and growth. Scanning electron microscopy of partially decomposed particles confirmed the morphological evolution consistent with the proposed kinetic pathway. The verified model accurately reproduced experimental results and successfully predicted decomposition behavior under conditions beyond the experimental range, demonstrating its robustness and potential usefulness for industrial use.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"77 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235211","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":"Hydrodynamic Cavitation-induced Breakage of Carbamazepine Dihydrate Crystals: Experimental Insights and Modeling","authors":"Subhrajit Swain, Vidit Tiwari, Vivek V. Ranade","doi":"10.1021/acs.iecr.5c02950","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02950","url":null,"abstract":"Downstream milling is often employed to control the particle size distribution (PSD) of crystalline products. Recently, hydrodynamic cavitation (HC) was shown to be quite effective for particle breakage compared to traditional wet milling and acoustic cavitation. In this work, we investigated the use of HC for tailoring the size and shape of carbamazepine dihydrate (CBZ-DH) crystals. A vortex-based HC device (VD) was used. An endoscopic optical probe (SOPAT GmbH, Germany) was used to measure the PSD during the breakage experiments. The variation in mean length, width, and aspect ratio (AR) of CBZ-DH crystals as a function of the number of passes through the VD was quantified. The breakage of CBZ-DH crystals exhibited two regimes─initially fast breakage up to a certain number of passes, followed by a significantly slower breakage. An empirical correlation for estimating the reduction in the mean length and width of the crystals was developed. The HC-induced breakage was modeled using the population balance model (PBM). The model successfully simulated the experimental PSD across all operating conditions with an appropriate selection of breakage model parameters. The data and models presented in this work provide a useful basis for tailoring pharmaceutical crystals by using VD.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"25 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241599","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":"Modeling and Optimal Design of an Industrial-Scale Electrothermal Fixed-Bed Reactor for Methane Steam Reforming","authors":"Zilin Peng, Haopeng Cui, Xianqing Gao, Junqi Weng, Guanghua Ye, Xinggui Zhou","doi":"10.1021/acs.iecr.5c02934","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c02934","url":null,"abstract":"Electrothermal reactors are key to the electrification of chemical reaction processes, with proper designs of these reactors being essential at an industrial scale. This work proposes an industrial-scale design of ohmic heating fixed-bed reactors composed of an array of flow channels separated by electrothermal alloy walls. This design shows the advantages of easy scaling-up and the use of commercial catalyst pellets. With steam methane reforming catalyzed by Ni/Al₂O₃ as the reaction system, a three-dimensional reactor model is developed to optimize this type of ohmic heating reactor. The results show that the honeycomb structure of flow channels with a channel size of 4 cm is optimal in this reaction system, as it can balance temperature distributions and methane conversion. The inlet flow velocity and heating voltage should be carefully examined to avoid excessively high hotspot temperatures. The temperature can reach 1355 K in a case with a heating voltage of 34.4 V. These ohmic heating reactors are simple yet effective and should be useful for the electrification of industrial processes.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"30 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235269","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":"A Two-step Optimization Algorithm Assisted by Pseudo-Transient Continuation Models for Single-Column Extractive Distillation Process","authors":"Xingchen Song,&nbsp;, ,&nbsp;Fucheng Xu,&nbsp;, ,&nbsp;Weiyang Wang,&nbsp;, ,&nbsp;Lianghua Xu*,&nbsp;, and ,&nbsp;Yiqing Luo,&nbsp;","doi":"10.1021/acs.iecr.5c01948","DOIUrl":"10.1021/acs.iecr.5c01948","url":null,"abstract":"<p >Single-column extractive distillation with an internally circulated intermediate boiling entrainer process (IC-SCED) realizes the separation of some binary azeotropic mixtures with low energy consumption and equipment cost. However, the simulation and optimization of this process are significantly difficult, as the flow rate of the IC entrainer cannot be specified directly in the sequential modular (SM) environment. In our previous work, a two-column model and its corresponding sequential iterative optimization procedure are proposed, while this optimization procedure is highly time-consuming, and the global optimum is difficult to achieve. In this work, we propose a new simulation and optimization strategy for the IC-SCED process. The IC-SCED process is simulated by pseudotransient continuation (PTC) models in an equation-oriented (EO) environment. Then, a two-step steady-state optimization algorithm is used to optimize the models. In the first optimization step, the total energy consumption per product unit is chosen as the objective function to ensure a sufficient amount of entrainer flow rate for breaking the azeotrope in the column. In the second optimization step, the total annual cost (TAC) is chosen as the objective function to optimize all decision variables. Two optimization cases are studied to evaluate the performance of the proposed algorithm. The computational results demonstrate that the proposed algorithm converges successfully and rapidly. The obtained optimal IC-SCED processes have a lower energy consumption and total annual cost than the processes achieved in our previous work.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 41","pages":"19900–19907"},"PeriodicalIF":3.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229487","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":"Recent Advances in Rare Earth Element Recovery: Liquid–Liquid Extraction and Magnetophoretic Separation","authors":"Bailey Lake,&nbsp;, ,&nbsp;Theo Siegrist,&nbsp;, ,&nbsp;Thomas E. Albrecht,&nbsp;, ,&nbsp;Hadi Mohammadigoushki,&nbsp;, ,&nbsp;Munir Humayun,&nbsp;, and ,&nbsp;Jamel Ali*,&nbsp;","doi":"10.1021/acs.iecr.5c02137","DOIUrl":"10.1021/acs.iecr.5c02137","url":null,"abstract":"<p >The unique physicochemical properties of rare earth elements (REEs) make them imperative for the production and improvement of advanced technology, renewable energy, and national defense applications. As these fields rapidly develop, there has been an increase in the demand for REEs. Due to the similar ionic charge and radii of adjacent REEs it is a challenge to selectively recover individual elements. Currently, the most common method for industrial REE separation is multistep traditional liquid–liquid extraction (T-LLE) systems. However, these systems generate large quantities of hazardous waste including flammable solvents, contaminated wastewater, and materials that cannot be recycled. There has been a recent increase in modifications to T-LLE systems, which has shown promising results in improving REE refinement and decreasing waste. This Review summarizes recent advances in solvent extraction systems other than T-LLE including aqueous two-phase systems (ATPS), nonaqueous systems (NAS) and systems evaluating the synergistic effects of multiple extractants or solvents in each phase. We also discuss developments in magnetophoretic separation methods that could be useful in solvent extraction in the future. Based on the findings of this Review, estimated Technology Readiness Levels (TRLs) for each of these systems are provided. These new systems are currently at TRLs of ≤5. Improving their TRLs and examining their industrial potential could lead to a reduction in operation cost and environmental impacts while improving separation efficiency and overall REE refinement, if practical in industrial settings.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 41","pages":"19781–19796"},"PeriodicalIF":3.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229488","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":"Lipid Degradation in Sunflower Oil in Water Nanoemulsion: Understanding the Kinetics and Role of Ultrasonication","authors":"Jitendra Carpenter, Yogeshsing Rajput, Virendra Kumar Saharan, Aniruddha Bhalchandra Pandit","doi":"10.1021/acs.iecr.5c03360","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c03360","url":null,"abstract":"This study has been undertaken to understand the impact of ultrasonication on the oxidative stability of nanoemulsions and evaluate the extent of degradation of oil via oxidation and hydrolysis during their formation. For the first time, the clear evidence of the oil degradation in ultrasonically prepared nanoemulsions is presented based on the change in the composition analysis over the period of nanoemulsion storage. In this work, the sunflower oil emulsions were prepared at different sonication conditions (power and energy) and using different emulsifiers (Tween 80/Span 80 and whey protein isolate). The oxidative kinetics were modeled by using a logistic equation approach to identify optimal sonication parameters. Results revealed that excessive ultrasonication, beyond a threshold power and energy density, led to a substantial increase in the peroxide value and rate of lipid oxidation during storage. Moreover, changing the emulsifier reduced lipid oxidation by 66% based on the peroxide value of the nanoemulsions. To validate the degradation of oil, the fatty acid profile of emulsified oil after one month of storage was analyzed. It was found that excessive sonication of the emulsion stabilized with Tween 80/Span 80 resulted in changes to the fatty acid composition, including an increase in the free fatty acid content, confirming both oxidative and hydrolytic degradation. Overall, the findings highlight the importance of limiting ultrasonic energy input and suggest the use of long-chain, protein-based emulsifiers to improve the oxidative stability and extend the shelf life of such prepared food-grade nanoemulsions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"123 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229490","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":"Advanced Heat Transfer Model for Eulerian–Lagrangian Simulations of Industrial Gas–Solid Flow Systems","authors":"Toshiki Imatani*,&nbsp; and ,&nbsp;Mikio Sakai*,&nbsp;","doi":"10.1021/acs.iecr.5c02511","DOIUrl":"10.1021/acs.iecr.5c02511","url":null,"abstract":"<p >The discrete element method (DEM), coupled with computational fluid dynamics (CFD), has been developed to simulate complex solid–fluid flow systems. Today, the DEM is regarded as an established approach, with extensive applications in industrial systems. Heat transfer modeling might be essential to the DEM for industrial applications. However, existing heat transfer models of the DEM have fundamental limitations. These issues arise from the soft spring model inherent in the DEM, where heat conduction is mathematically influenced by the spring constant values. Therefore, current heat transfer models require complex modeling, namely, consideration of the contact state such as contact area and duration, to estimate heat conduction. Moreover, the current heat transfer models exhibit poor compatibility with scaling laws, such as the coarse-grained DEM, leading to amplify temperature errors relative to motion errors. To address these challenges, we develop a novel heat transfer model based on an Eulerian framework within DEM simulations. In our approach, the Eulerian description is applied to the heat transfer calculation, while particle motion is simulated by the DEM. Notably, heat conduction in the solid phase is captured through a simple setup by specifying the void fraction rather than modeling the contact state. The adequacy of the proposed heat transfer model is demonstrated through validation tests in gas–solid flow systems, showing that the temperature distribution is independent of the particle contact state. Furthermore, the proposed model exhibits strong compatibility with the coarse-grained DEM, maintaining accuracy even at reduced computational costs. These results establish the new model’s reliability and universality, positioning it as a promising standard for DEM-CFD simulations in industrial applications.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 41","pages":"20030–20044"},"PeriodicalIF":3.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229489","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":"Numerical Study on N2 Removal from the N2/He Mixture by Supersonic Separation Technology","authors":"Baosheng Chen,&nbsp;, ,&nbsp;Yupei Zeng,&nbsp;, ,&nbsp;Nan Peng*,&nbsp;, and ,&nbsp;Ercang Luo*,&nbsp;","doi":"10.1021/acs.iecr.5c02209","DOIUrl":"10.1021/acs.iecr.5c02209","url":null,"abstract":"<p >The application of supersonic separation technology in extracting helium from the N₂/He mixture is the primary innovation of this work, holding noteworthy promise. To begin with, a numerical model is constructed, incorporating governing equations for gas–liquid phase and the condensation model. The study reveals that nitrogen nonequilibrium condensation can be accomplished using the Laval nozzle, demonstrating the potential for N₂/He separation in the supersonic separator. Enhancing nitrogen nonequilibrium condensation within the Laval nozzle can be achieved by lowering the inlet temperature and raising the inlet pressure. Results show that nitrogen experiences intensive homogeneous nucleation over a short duration in the divergent section, leading to an ongoing rise in the nitrogen liquid mass fraction from 0% at the inlet to 10.5% at the outlet. This research verifies the viability of employing the Laval nozzle for nitrogen removal, carrying significant strategic implications for advancing nitrogen removal technologies in the recovery of helium from natural gas.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 41","pages":"20014–20029"},"PeriodicalIF":3.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235271","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}