{"title":"Kinetic study and reaction model of chlorotrimethylsilane hydrolysis to hexamethyldisiloxane","authors":"Yue Zhang, Rui-Qi Jia, Guang-Wen Chu, Bao-Chang Sun, Liang-Liang Zhang, Jian-Feng Chen","doi":"10.1016/j.ces.2026.123542","DOIUrl":"https://doi.org/10.1016/j.ces.2026.123542","url":null,"abstract":"","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"45 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2026-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-08DOI: 10.1016/j.ces.2026.123559
Pingping Cui, Ling Zhou, Qiuxiang Yin
A cleaner and more efficient method for preparing multi-component spherical co-agglomerates was developed based on salt-induced liquid–liquid separation (SI-SCA) technique in this work. A three-step strategy for spherical co-agglomeration was proposed to rapidly screen suitable organic solvent–drug systems by phase separation experiments and molecular simulation. The wettability of organic solvents on crystal surfaces was evaluated through calculations of isosteric adsorption heat, enabling the selection of systems favorable for spherical agglomeration. After verification, appropriate combinations of drugs and solvent systems were identified for the preparation of multi-component spherical co-agglomerates. Using aspirin, paracetamol, celecoxib and mannitol as model compounds, suitable organic solvents for spherical co-agglomeration were screened from methanol, ethanol, n-propanol, isopropanol and acetone. Using SI-SCA technique, the two-component and three-component spherical co-agglomerates of aspirin, paracetamol, and celecoxib were prepared in water–n-propanol/isopropanol/acetone–NaCl systems. The particle size of the co-agglomerates could be effectively tuned by adjusting experimental parameters such as stirring rate. Furthermore, spherical co-agglomerates with stable and controllable component contents were obtained by modifying the initial feeding concentration of multi-component drugs. The formation mechanism of multi-component spherical co-agglomerates was comprehensively determined by combining real-time monitoring via Process Analytical Technology (PAT) and specific analytical methods including PXRD and SEM.
{"title":"Design and mechanistic insight into spherical Co-agglomeration based on salt-induced liquid–liquid separation","authors":"Pingping Cui, Ling Zhou, Qiuxiang Yin","doi":"10.1016/j.ces.2026.123559","DOIUrl":"https://doi.org/10.1016/j.ces.2026.123559","url":null,"abstract":"A cleaner and more efficient method for preparing multi-component spherical co-agglomerates was developed based on salt-induced liquid–liquid separation (SI-SCA) technique in this work. A three-step strategy for spherical co-agglomeration was proposed to rapidly screen suitable organic solvent–drug systems by phase separation experiments and molecular simulation. The wettability of organic solvents on crystal surfaces was evaluated through calculations of isosteric adsorption heat, enabling the selection of systems favorable for spherical agglomeration. After verification, appropriate combinations of drugs and solvent systems were identified for the preparation of multi-component spherical co-agglomerates. Using aspirin, paracetamol, celecoxib and mannitol as model compounds, suitable organic solvents for spherical co-agglomeration were screened from methanol, ethanol, <em>n</em>-propanol, isopropanol and acetone. Using SI-SCA technique, the two-component and three-component spherical co-agglomerates of aspirin, paracetamol, and celecoxib were prepared in water–<em>n</em>-propanol/isopropanol/acetone–NaCl systems. The particle size of the co-agglomerates could be effectively tuned by adjusting experimental parameters such as stirring rate. Furthermore, spherical co-agglomerates with stable and controllable component contents were obtained by modifying the initial feeding concentration of multi-component drugs. The formation mechanism of multi-component spherical co-agglomerates was comprehensively determined by combining real-time monitoring via Process Analytical Technology (PAT) and specific analytical methods including PXRD and SEM.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"23 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2026-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.ces.2026.123556
Minjie Zhang, Qiufeng Wang, Jianxiu Hao, Na Li, Yanpeng Ban, Keduan Zhi, Huacong Zhou, Quansheng Liu
Oxidative depolymerization of lignite into valuable chemicals such as benzene polycarboxylic acids (BPCAs) is a potential pathway for the high-value and non-energy utilization of lignite. Up to now, the selective separation of BPCAs from the complex depolymerization product mixtures remains a huge challenge and impedes the development of this route. BPA and BHA are key platform molecules for constructing high performance and functional materials. In this work, based on the differences in physical and chemical properties of BPCAs, ammonium salt-mediated antisolvent separation of BPCAs from the depolymerization products mixture of lignite was developed. The effects of different separation parameters on the separation efficiency were systematically studied. The results showed that the route could selectively separate benzene hexacarboxylic acid (BHA) and benzene pentacarboxylic acid (BPA) from both the simulated solution and the real lignite depolymerization products. For the real system, the separation yields of BHA and BPA were 76.0 % and 90.0 %, respectively. BHA and BPA accounted for 93.0 % among all BPCAs in the separated solution, indicating an enhanced purity compared to the initial depolymerized product mixture. The antisolvent methanol had high selectivity for BHA and BPA, and the separation selectivity could be tuned by optimizing the ammonia dosage, antisolvent methanol dosage, and the pH of the mother solution. As far as we know, this is the first report fulfilling the selective separation of the valuable BHA and BPA from the real complex depolymerized product mixture of lignite. This work contributes new separation route to promote the depolymerization utilization of lignite.
{"title":"Ammonium salt-mediated antisolvent separation of valuable benzene pentacarboxylic and hexacarboxylic acids from the oxidative depolymerization product mixture of lignite","authors":"Minjie Zhang, Qiufeng Wang, Jianxiu Hao, Na Li, Yanpeng Ban, Keduan Zhi, Huacong Zhou, Quansheng Liu","doi":"10.1016/j.ces.2026.123556","DOIUrl":"https://doi.org/10.1016/j.ces.2026.123556","url":null,"abstract":"Oxidative depolymerization of lignite into valuable chemicals such as benzene polycarboxylic acids (BPCAs) is a potential pathway for the high-value and non-energy utilization of lignite. Up to now, the selective separation of BPCAs from the complex depolymerization product mixtures remains a huge challenge and impedes the development of this route. BPA and BHA are key platform molecules for constructing high performance and functional materials. In this work, based on the differences in physical and chemical properties of BPCAs, ammonium salt-mediated antisolvent separation of BPCAs from the depolymerization products mixture of lignite was developed. The effects of different separation parameters on the separation efficiency were systematically studied. The results showed that the route could selectively separate benzene hexacarboxylic acid (BHA) and benzene pentacarboxylic acid (BPA) from both the simulated solution and the real lignite depolymerization products. For the real system, the separation yields of BHA and BPA were 76.0 % and 90.0 %, respectively. BHA and BPA accounted for 93.0 % among all BPCAs in the separated solution, indicating an enhanced purity compared to the initial depolymerized product mixture. The antisolvent methanol had high selectivity for BHA and BPA, and the separation selectivity could be tuned by optimizing the ammonia dosage, antisolvent methanol dosage, and the pH of the mother solution. As far as we know, this is the first report fulfilling the selective separation of the valuable BHA and BPA from the real complex depolymerized product mixture of lignite. This work contributes new separation route to promote the depolymerization utilization of lignite.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"32 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.ces.2026.123539
Jun Zhang, Peng-fei Liang, You-zhi Liu
A novel one-step mixing using free triple-impinging jets (FTIJs) was employed to prepare Al2O3–H2O nanofluids. The effects of key operating parameters, namely, horizontal nozzle distance (w = 10 mm & 20 mm), perpendicular nozzle distance (h = 10 mm & 20 mm), H2O/SDBS jet velocity u (1.6 m/s ∼ 4.8 m/s), Al2O3 mass flow rate Q1 (1.2 g/h ∼ 3 g/h), and SDBS mass fraction ω (0.4% ∼ 1.2%) on the stability, nanofluids size, and morphology of Al2O3–H2O nanofluids were systematically investigated through experimental studies. For comparative analysis, free opposed impinging jets (FOIJs) was implemented, in which two liquid jets from two horizontally aligned nozzle and collide in a wall-free environment, enabling a two-step mixing of Al2O3–H2O nanofluids preparation. The results indicate that increasing u and Q1 leads to reduced sedimentation height, transmissivity and average diameter, along with an increased absolute value of zeta potential, so that the stability and size uniformity are improved, with the minimum average diameter reaching 48 nm. In contrast, increasing the nozzle distance resulted in adverse trends in both stability and nanofluids size. Optimal performance was observed at ω = 0.6%, where Al2O3–H2O nanofluids exhibited superior stability and smaller sizes. Compared to the one-step mixing in FTIJs, the two-step mixing in FOIJs is inferior stability and thermal conductivity performance. These findings demonstrate that FTIJs effectively intensifies the one-step mixing for Al2O3–H2O nanofluids preparation, providing a theoretical basis for advanced nanofluids fabrication, as well as expanding existing preparation methodologies and broadening the application potential of free impinging jets.
{"title":"Intensification of one-step mixing for the preparation of Al2O3-H2O nanofluids using free triple-impinging jets","authors":"Jun Zhang, Peng-fei Liang, You-zhi Liu","doi":"10.1016/j.ces.2026.123539","DOIUrl":"https://doi.org/10.1016/j.ces.2026.123539","url":null,"abstract":"A novel one-step mixing using free triple-impinging jets (FTIJs) was employed to prepare Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids. The effects of key operating parameters, namely, horizontal nozzle distance (<em>w</em> = 10 mm & 20 mm), perpendicular nozzle distance (<em>h</em> = 10 mm & 20 mm), H<sub>2</sub>O/SDBS jet velocity <em>u</em> (1.6 m/s ∼ 4.8 m/s), Al<sub>2</sub>O<sub>3</sub> mass flow rate <em>Q</em><sub>1</sub> (1.2 g/h ∼ 3 g/h), and SDBS mass fraction <em>ω</em> (0.4% ∼ 1.2%) on the stability, nanofluids size, and morphology of Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids were systematically investigated through experimental studies. For comparative analysis, free opposed impinging jets (FOIJs) was implemented, in which two liquid jets from two horizontally aligned nozzle and collide in a wall-free environment, enabling a two-step mixing of Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids preparation. The results indicate that increasing <em>u</em> and <em>Q</em><sub>1</sub> leads to reduced sedimentation height, transmissivity and average diameter, along with an increased absolute value of zeta potential, so that the stability and size uniformity are improved, with the minimum average diameter reaching 48 nm. In contrast, increasing the nozzle distance resulted in adverse trends in both stability and nanofluids size. Optimal performance was observed at <em>ω</em> = 0.6%, where Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids exhibited superior stability and smaller sizes. Compared to the one-step mixing in FTIJs, the two-step mixing in FOIJs is inferior stability and thermal conductivity performance. These findings demonstrate that FTIJs effectively intensifies the one-step mixing for Al<sub>2</sub>O<sub>3</sub>–H<sub>2</sub>O nanofluids preparation, providing a theoretical basis for advanced nanofluids fabrication, as well as expanding existing preparation methodologies and broadening the application potential of free impinging jets.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"42 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.ces.2026.123544
Sofia P. Brandão, Isabel S. Fernandes, Yaidelin A. Manrique, Madalena M. Dias, Ricardo J. Santos, Margarida S.C.A. Brito, José C.B. Lopes
This work presents an enhanced oscillatory NETmix (O-NETmix) system, highlighting how coupling the NETmix geometry with oscillatory flow technology can further improve mixing performance. While O-NETmix has previously been studied under batch operation, this study focuses on its continuous operation, demonstrating the potential for more efficient and effective mixing. Enhancing mixing through oscillatory flow is a key factor for increasing process performance and productivity. An oscillatory flow was superimposed over the net flow in the NETmix reactor to achieve chaotic mixing at Reynolds numbers below the critical value. CFD simulations were conducted to examine the effect of phase displacement, amplitude, frequency, and velocity of the inlet streams on mixing. Numerical results were validated through tracer experiments. Results show that an out-of-phase strategy and higher oscillation amplitudes enhance mixing performance along the reactor. This behaviour revealed a lateral mixing mechanism distinct from the longitudinal mixing previously observed in batch operation. A specific frequency range was identified over which effective mixing occurs, while frequencies outside this range lead to diminished flow dynamics or species segregation. Overall, applying an oscillatory external stimulus is a promising solution to the onset of mixing in the continuous operation of O-NETmix at low net Reynolds numbers.
{"title":"Continuous oscillatory NETmix reactor: A new operating mode of an oscillatory static mixer for continuous operation","authors":"Sofia P. Brandão, Isabel S. Fernandes, Yaidelin A. Manrique, Madalena M. Dias, Ricardo J. Santos, Margarida S.C.A. Brito, José C.B. Lopes","doi":"10.1016/j.ces.2026.123544","DOIUrl":"https://doi.org/10.1016/j.ces.2026.123544","url":null,"abstract":"This work presents an enhanced oscillatory NETmix (O-NETmix) system, highlighting how coupling the NETmix geometry with oscillatory flow technology can further improve mixing performance. While O-NETmix has previously been studied under batch operation, this study focuses on its continuous operation, demonstrating the potential for more efficient and effective mixing. Enhancing mixing through oscillatory flow is a key factor for increasing process performance and productivity. An oscillatory flow was superimposed over the net flow in the NETmix reactor to achieve chaotic mixing at Reynolds numbers below the critical value. CFD simulations were conducted to examine the effect of phase displacement, amplitude, frequency, and velocity of the inlet streams on mixing. Numerical results were validated through tracer experiments. Results show that an out-of-phase strategy and higher oscillation amplitudes enhance mixing performance along the reactor. This behaviour revealed a lateral mixing mechanism distinct from the longitudinal mixing previously observed in batch operation. A specific frequency range was identified over which effective mixing occurs, while frequencies outside this range lead to diminished flow dynamics or species segregation. Overall, applying an oscillatory external stimulus is a promising solution to the onset of mixing in the continuous operation of O-NETmix at low net Reynolds numbers.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"9 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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