Chemical Engineering Science最新文献

英文中文

Computer-aided many-objective optimization framework via deep learning surrogate models: Promoting carbon reduction in refining processes from a life cycle perspective

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-11 DOI: 10.1016/j.ces.2025.121350

Xin Zhou , Zhibo Zhang , Huibing Shi , Deming Zhao , Yaowei Wang , Haiyan Luo , Hao Yan , Weitao Zhang , Lianying Wu , Chaohe Yang

This study proposed a hybrid model employing molecular-level process mechanism and data-driven surrogate optimization. We applied the hybrid model to realize the many-objective optimization for industrial chemical engineering process. The hybrid model is applied as an optimization paradigm in a novel processing route that maximizes chemicals from offshore crude oil. Molecular-level modeling procedures driven by mechanism models were employed to boost the deep learning database. Our methodology can be extended to general chemical engineering processes. A comparative analysis and evaluation by the hybrid model that is compared with the conventional direct solving model are implemented under varying operating modes. The proposed framework highlights significant arithmetic power advantages. Ulteriorly, two scenarios are assessed via employing the life cycle outlook. Results indicate that the orientation towards producing high-octane gasoline exhibits significantly 2.91% less non-renewable energy and 4.85% less CO₂ emissions compared with the orientation towards maximizing chemicals.

{"title":"Computer-aided many-objective optimization framework via deep learning surrogate models: Promoting carbon reduction in refining processes from a life cycle perspective","authors":"Xin Zhou , Zhibo Zhang , Huibing Shi , Deming Zhao , Yaowei Wang , Haiyan Luo , Hao Yan , Weitao Zhang , Lianying Wu , Chaohe Yang","doi":"10.1016/j.ces.2025.121350","DOIUrl":"10.1016/j.ces.2025.121350","url":null,"abstract":"<div><div>This study proposed a hybrid model employing molecular-level process mechanism and data-driven surrogate optimization. We applied the hybrid model to realize the many-objective optimization for industrial chemical engineering process. The hybrid model is applied as an optimization paradigm in a novel processing route that maximizes chemicals from offshore crude oil. Molecular-level modeling procedures driven by mechanism models were employed to boost the deep learning database. Our methodology can be extended to general chemical engineering processes. A comparative analysis and evaluation by the hybrid model that is compared with the conventional direct solving model are implemented under varying operating modes. The proposed framework highlights significant arithmetic power advantages. Ulteriorly, two scenarios are assessed via employing the life cycle outlook. Results indicate that the orientation towards producing high-octane gasoline exhibits significantly 2.91% less non-renewable energy and 4.85% less CO<sub>2</sub> emissions compared with the orientation towards maximizing chemicals.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121350"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393371","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}

引用次数: 0

Temperature regulating the directional catalytic transfer hydrogenolysis of lignin over a in situ topologically prepared NiRu/Al2O3

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-11 DOI: 10.1016/j.ces.2025.121328

Hong-Lei Yan, Hai-Tao Wang, Sheng-Chi Xia, Wei-Dong Zhang, Zhan-Ku Li, Zhi-Ping Lei, Shi-Biao Ren, Zhi-Cai Wang, Heng-Fu Shui

Exploiting highly active heterogeneous catalysts is vital for depolymerizing lignin. Herein, a NiRu/Al₂O₃-I_T catalyst via simple in situ topological transformation of layered double hydroxide was fabricated for catalytic transfer hydrogenolysis of enzymatic hydrolysis lignin (EHL). Model compounds containing aryl ether bonds and C–C linkages can be effectively cleaved and hydrogenated, respectively over the catalyst under mild conditions, indicating the high activity. Effect of reaction temperature on NiRu/Al₂O₃-I_T catalytic performance for EHL hydrogenolysis and the resulting soluble portion (SP) composition was comparatively explored. The results exhibit that strong interaction between Ni and Ru and high dispersion of NiRu/Al₂O₃-I_T are responsible for the efficient cleavage of ether bonds in EHL. The submaximum and maximum yields of SP with high monomers/dimers contents were acquired at 210 (SP₂₁₀) and 300 °C (SP₃₀₀), respectively. Monomeric phenols detected in SP₂₁₀ accounts for 69% of total organic compounds, while considerable hydrogenated compounds were identified in SP₃₀₀. In addition, more lowly condensed oxygenates with less oxygen atoms were analyzed in SP₃₀₀ with FTICRMS, indicating that hydrogenation and deoxygenation were significantly enhanced with NiRu/Al₂O₃-I_T at higher temperature, which was also proved by ultimate and 2D HSQC NMR analyses.

{"title":"Temperature regulating the directional catalytic transfer hydrogenolysis of lignin over a in situ topologically prepared NiRu/Al2O3","authors":"Hong-Lei Yan, Hai-Tao Wang, Sheng-Chi Xia, Wei-Dong Zhang, Zhan-Ku Li, Zhi-Ping Lei, Shi-Biao Ren, Zhi-Cai Wang, Heng-Fu Shui","doi":"10.1016/j.ces.2025.121328","DOIUrl":"10.1016/j.ces.2025.121328","url":null,"abstract":"<div><div>Exploiting highly active heterogeneous catalysts is vital for depolymerizing lignin. Herein, a NiRu/Al<sub>2</sub>O<sub>3</sub><em>-I</em><sub>T</sub> catalyst <em>via</em> simple <em>in situ</em> topological transformation of layered double hydroxide was fabricated for catalytic transfer hydrogenolysis of enzymatic hydrolysis lignin (EHL). Model compounds containing aryl ether bonds and C–C linkages can be effectively cleaved and hydrogenated, respectively over the catalyst under mild conditions, indicating the high activity. Effect of reaction temperature on NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> catalytic performance for EHL hydrogenolysis and the resulting soluble portion (SP) composition was comparatively explored. The results exhibit that strong interaction between Ni and Ru and high dispersion of NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> are responsible for the efficient cleavage of ether bonds in EHL. The submaximum and maximum yields of SP with high monomers/dimers contents were acquired at 210 (SP<sub>210</sub>) and 300 °C (SP<sub>300</sub>), respectively. Monomeric phenols detected in SP<sub>210</sub> accounts for 69% of total organic compounds, while considerable hydrogenated compounds were identified in SP<sub>300</sub>. In addition, more lowly condensed oxygenates with less oxygen atoms were analyzed in SP<sub>300</sub> with FTICRMS, indicating that hydrogenation and deoxygenation were significantly enhanced with NiRu/Al<sub>2</sub>O<sub>3</sub>-<em>I</em><sub>T</sub> at higher temperature, which was also proved by ultimate and 2D HSQC NMR analyses.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121328"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393374","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}

引用次数: 0

Modeling multi-pollutant emission concentrations in municipal solid waste incineration processes using virtual-real data-driven approach

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-11 DOI: 10.1016/j.ces.2025.121358

Tianzheng Wang , Jian Tang , Loai Aljerf , Yongqi Liang , Junfei Qiao

The concentration of pollutant emissions during the municipal solid waste incineration (MSWI) process has a significant global impact on the atmospheric environment. Developing effective pollutant emission models to support optimization for emission reduction is a critical challenge that must be addressed. To address the challenges of high uncertainty and poor interpretability in pollutant emission concentration models for the MSWI process, this article proposes a novel method for modeling multi-pollutant emission concentrations using a virtual-real data-driven method. First, a whole-process numerical simulation model for the MSWI process is developed using a multi-software coupling strategy. Virtual simulation mechanism dataset under diverse operating conditions is generated through a combination of orthogonal experimental design and implementation. Subsequently, to tackle the challenge of limited sample size resulting from the high cost of simulation, virtual sample generation (VSG) is utilized to enhance the dataset. Finally, a virtual-real data-driven multi-pollutant emission concentration model is developed, leveraging the Interval Type-2 Fuzzy Broad Learning System (IT2FBLS) and the Linear Regression Decision Tree (LRDT) algorithm with a main-compensation mechanism. The proposed methodology is validated using data from an MSWI power plant in Beijing.

{"title":"Modeling multi-pollutant emission concentrations in municipal solid waste incineration processes using virtual-real data-driven approach","authors":"Tianzheng Wang , Jian Tang , Loai Aljerf , Yongqi Liang , Junfei Qiao","doi":"10.1016/j.ces.2025.121358","DOIUrl":"10.1016/j.ces.2025.121358","url":null,"abstract":"<div><div>The concentration of pollutant emissions during the municipal solid waste incineration (MSWI) process has a significant global impact on the atmospheric environment. Developing effective pollutant emission models to support optimization for emission reduction is a critical challenge that must be addressed. To address the challenges of high uncertainty and poor interpretability in pollutant emission concentration models for the MSWI process, this article proposes a novel method for modeling multi-pollutant emission concentrations using a virtual-real data-driven method. First, a whole-process numerical simulation model for the MSWI process is developed using a multi-software coupling strategy. Virtual simulation mechanism dataset under diverse operating conditions is generated through a combination of orthogonal experimental design and implementation. Subsequently, to tackle the challenge of limited sample size resulting from the high cost of simulation, virtual sample generation (VSG) is utilized to enhance the dataset. Finally, a virtual-real data-driven multi-pollutant emission concentration model is developed, leveraging the Interval Type-2 Fuzzy Broad Learning System (IT2FBLS) and the Linear Regression Decision Tree (LRDT) algorithm with a main-compensation mechanism. The proposed methodology is validated using data from an MSWI power plant in Beijing.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121358"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393372","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}

引用次数: 0

Effect of film characteristics on bursting behavior of a bubble in gas space

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-11 DOI: 10.1016/j.ces.2025.121355

Ziyue Wang , Liansheng Liu

As marine pollution intensifies, pollutants concentrate on the surface of marine bubbles and are usually ’regurgitated’ into the atmosphere in the form of aerosols, leading to ecological contamination and disease propagation. The bubble rupture in gas space above the air–sea interface is one of the primary sources of aerosols, but the interplay between bubbles and aerosols remains unclear. This study demonstrates that the instability of the bubble film plays a critical role in governing the formation and characteristics of aerosols. Once a bubble bursts in gas space, a hole rim recedes and soon destabilizes into capillary waves. A centrifugal force, caused by a curvilinear motion of the receding rim, leads to the radial spreading and destabilization of the hole rim in a Rayleigh–Taylor type. Meanwhile, a Kelvin–Helmholtz instability is strengthened due to the shear between the spreading rim and the surrounding atmosphere. Both instabilities contribute to the rim instability of the broken curved film. Specifically, this study quantitatively examines how surface tension, viscosity, bubble radius, and film thickness affect the instability dynamics and bursting intensity through comprehensive experiments. The results have significant scientific implications and practical application value for clarifying the transmission of pollutants at the air–sea interface and the physicochemical properties of composite aerosols.

Synopsis: This study investigates the behaviors of aerosol formation from bubble bursting in gas space above the air–sea interface, offering new insights into marine pollution transmission.

{"title":"Effect of film characteristics on bursting behavior of a bubble in gas space","authors":"Ziyue Wang , Liansheng Liu","doi":"10.1016/j.ces.2025.121355","DOIUrl":"10.1016/j.ces.2025.121355","url":null,"abstract":"<div><div>As marine pollution intensifies, pollutants concentrate on the surface of marine bubbles and are usually ’regurgitated’ into the atmosphere in the form of aerosols, leading to ecological contamination and disease propagation. The bubble rupture in gas space above the air–sea interface is one of the primary sources of aerosols, but the interplay between bubbles and aerosols remains unclear. This study demonstrates that the instability of the bubble film plays a critical role in governing the formation and characteristics of aerosols. Once a bubble bursts in gas space, a hole rim recedes and soon destabilizes into capillary waves. A centrifugal force, caused by a curvilinear motion of the receding rim, leads to the radial spreading and destabilization of the hole rim in a Rayleigh–Taylor type. Meanwhile, a Kelvin–Helmholtz instability is strengthened due to the shear between the spreading rim and the surrounding atmosphere. Both instabilities contribute to the rim instability of the broken curved film. Specifically, this study quantitatively examines how surface tension, viscosity, bubble radius, and film thickness affect the instability dynamics and bursting intensity through comprehensive experiments. The results have significant scientific implications and practical application value for clarifying the transmission of pollutants at the air–sea interface and the physicochemical properties of composite aerosols.</div><div><strong>Synopsis:</strong> This study investigates the behaviors of aerosol formation from bubble bursting in gas space above the air–sea interface, offering new insights into marine pollution transmission.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121355"},"PeriodicalIF":4.1,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393314","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}

引用次数: 0

Gas flow in a new type of rotating packed bed with gas baffles

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-10 DOI: 10.1016/j.ces.2025.121353

Ting Cheng , Fuming Miao , Ruize Shang , Youzhi Liu , Weizhou Jiao

Cross-flow rotating packed bed is a popular reactor for process intensification, but it has an inherent disadvantage that the gas residence time is very short. A novel gas baffle-rotating packed bed (GB-RPB) was introduced to prolong the gas residence time, and the gas flow in GB-RPB was simulated using a three-dimensional computational fluid dynamics model. The realizable k-ε model was used for the prediction of turbulence and a porous media model was used for the packing. The effects baffle characteristics on gas dynamics and turbulence within GB-RPB were investigated. It was found that mass transfer was significantly enhanced due to the vortex flow pattern and intensified turbulence around baffles. Specifically, GB-RPB with inner baffles and outer baffles spaced 20 mm apart (1/3 rotor height) significantly extended the gas residence time, so that the COD degradation rate in pesticide-laden wastewater was increased by over 10 % compared to conventional RPB.

横流旋转填料床是一种常用的工艺强化反应器，但其固有的缺点是气体停留时间非常短。为了延长气体停留时间，引入了一种新型气体挡板旋转填料床（GB-RPB），并使用三维计算流体动力学模型模拟了 GB-RPB 中的气体流动。湍流预测采用可实现的 k-ε 模型，填料采用多孔介质模型。研究了挡板特性对 GB-RPB 内气体动力学和湍流的影响。研究发现，由于挡板周围的涡流模式和湍流加剧，传质显著增强。具体来说，GB-RPB 的内挡板和外挡板间距为 20 毫米（转子高度的 1/3），大大延长了气体停留时间，因此与传统 RPB 相比，含农药废水中 COD 的降解率提高了 10%以上。

引用次数: 0

Using of phosphoric acid to dissolve phosphate ore flotation tailings for stepwise separation of calcium and magnesium values

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-10 DOI: 10.1016/j.ces.2025.121356

Hannian Gu , Guiyong Zhou , Hanjie Wen , Ning Wang

Phosphate ore flotation tailings (POFTs) are waste in phosphate ore processing process, rich in Ca, Mg, and P. A phosphoric acid leaching route was developed to recover these resources. The results showed that Ca and Mg in POFTs could be separated by phosphoric acid leaching, generating Ca(H₂PO₄)₂ and then decomposing to form CaHPO₄ precipitates at 80 ℃. The leaching efficiencies of Ca and Mg were 16.64 and 93.44 %, respectively, using 3.0 mol/L phosphoric acid solution at 80 ℃ for 120 min with the liquid–solid ratio of 5 mL/g. The recovery of Ca and Mg in phosphoric acid leachate was achieved in the precipitates of CaC₂O₄·H₂O and MgNH₄PO₄·6H₂O by adding H₂C₂O₄ and NH₃·H₂O in steps. The Mg-recovered leachate was evaporated to yield (NH₄)₂HPO₄/NH₄H₂PO₄ fertilizer, converting P into valuable products. Economically, treating 1 ton of POFTs yields a $109 profit, adapting to valorization of Ca, Mg and P in POFTs waste.

磷矿浮选尾矿（POFTs）是磷矿加工过程中的废弃物，富含 Ca、Mg 和 P。结果表明，POFTs 中的 Ca 和 Mg 可通过磷酸浸出分离出来，生成 Ca(H2PO4)2，然后在 80 ℃ 下分解形成 CaHPO4 沉淀。在液固比为 5 mL/g 的条件下，使用 3.0 mol/L 磷酸溶液在 80 ℃ 下浸出 120 分钟，钙和镁的浸出率分别为 16.64 % 和 93.44 %。通过逐步加入 H2C2O4 和 NH3-H2O，在 CaC2O4-H2O 和 MgNH4PO4-6H2O 沉淀中实现了磷酸浸出液中 Ca 和 Mg 的回收。镁回收的浸出液经蒸发后得到 (NH4)2HPO4/NH4H2PO4 肥料，将 P 转化为有价值的产品。从经济角度看，处理 1 吨 POFTs 可获得 155 美元的利润，从而实现了 POFTs 废物中钙、镁和磷的价值化。

{"title":"Using of phosphoric acid to dissolve phosphate ore flotation tailings for stepwise separation of calcium and magnesium values","authors":"Hannian Gu , Guiyong Zhou , Hanjie Wen , Ning Wang","doi":"10.1016/j.ces.2025.121356","DOIUrl":"10.1016/j.ces.2025.121356","url":null,"abstract":"<div><div>Phosphate ore flotation tailings (POFTs) are waste in phosphate ore processing process, rich in Ca, Mg, and P. A phosphoric acid leaching route was developed to recover these resources. The results showed that Ca and Mg in POFTs could be separated by phosphoric acid leaching, generating Ca(H<sub>2</sub>PO<sub>4</sub>)<sub>2</sub> and then decomposing to form CaHPO<sub>4</sub> precipitates at 80 ℃. The leaching efficiencies of Ca and Mg were 16.64 and 93.44 %, respectively, using 3.0 mol/L phosphoric acid solution at 80 ℃ for 120 min with the liquid–solid ratio of 5 mL/g. The recovery of Ca and Mg in phosphoric acid leachate was achieved in the precipitates of CaC<sub>2</sub>O<sub>4</sub>·H<sub>2</sub>O and MgNH<sub>4</sub>PO<sub>4</sub>·6H<sub>2</sub>O by adding H<sub>2</sub>C<sub>2</sub>O<sub>4</sub> and NH<sub>3</sub>·H<sub>2</sub>O in steps. The Mg-recovered leachate was evaporated to yield (NH<sub>4</sub>)<sub>2</sub>HPO<sub>4</sub>/NH<sub>4</sub>H<sub>2</sub>PO<sub>4</sub> fertilizer, converting P into valuable products. Economically, treating 1 ton of POFTs yields a $109 profit, adapting to valorization of Ca, Mg and P in POFTs waste.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121356"},"PeriodicalIF":4.1,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143385273","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}

引用次数: 0

Quantitative analysis of physical absorption behavior of CO2 in imidazolium-based ionic liquids containing bis(trifluoromethylsulfonyl)imide and tetrafluoroborate anion by Raman spectroscopy

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-10 DOI: 10.1016/j.ces.2025.121352

Yuya Hiraga, Yuta Takikawa, Moe Tatsushima, Masaru Watanabe

To achieve a carbon–neutral society, ionic liquids (ILs) are widely used as solvents for CO₂ separation/recovery and as catalysts for CO₂ fixation reactions. Understanding the dissolution behavior of CO₂ is critical in these applications. Raman spectroscopy enables in-situ analysis of CO₂ dissolution behavior but suffers from limited quantitativeness. In this study, spectral analysis based on Raman spectroscopy was conducted for CO₂ dissolution in four imidazolium-based ILs containing the [Tf₂N] (bis(trifluoromethylsulfonyl)imide) and the [BF₄] (tetrafluoroborate) anion temperature at 298–333 K and pressure up to 6.3 MPa. These four types were selected as model ionic liquids with different cation chain lengths and CO₂ solubility ranges. The peak intensity caused by symmetric stretching vibrations of CO₂ (about 1380 cm⁻¹) increased as the amount of dissolved CO₂ increased although the peak intensity of IL (about 1420 cm⁻¹) did not change. The intensity ratios for the peak of CO₂ against that of IL were defined to assess Raman spectra quantitatively. A comparison of the obtained intensity ratios with CO₂ solubility (CO₂ mole ratio to IL:

x_{{CO}_{2}}^{'} = n_{{CO}_{2}} / n_{IL}

, where

n_{i}

is the mole of component i) revealed that a consistent linear relationship could represent the data for all four ILs across three temperatures.

{"title":"Quantitative analysis of physical absorption behavior of CO2 in imidazolium-based ionic liquids containing bis(trifluoromethylsulfonyl)imide and tetrafluoroborate anion by Raman spectroscopy","authors":"Yuya Hiraga, Yuta Takikawa, Moe Tatsushima, Masaru Watanabe","doi":"10.1016/j.ces.2025.121352","DOIUrl":"10.1016/j.ces.2025.121352","url":null,"abstract":"<div><div>To achieve a carbon–neutral society, ionic liquids (ILs) are widely used as solvents for CO<sub>2</sub> separation/recovery and as catalysts for CO<sub>2</sub> fixation reactions. Understanding the dissolution behavior of CO<sub>2</sub> is critical in these applications. Raman spectroscopy enables <em>in-situ</em> analysis of CO<sub>2</sub> dissolution behavior but suffers from limited quantitativeness. In this study, spectral analysis based on Raman spectroscopy was conducted for CO<sub>2</sub> dissolution in four imidazolium-based ILs containing the [Tf<sub>2</sub>N] (bis(trifluoromethylsulfonyl)imide) and the [BF<sub>4</sub>] (tetrafluoroborate) anion temperature at 298–333 K and pressure up to 6.3 MPa. These four types were selected as model ionic liquids with different cation chain lengths and CO<sub>2</sub> solubility ranges. The peak intensity caused by symmetric stretching vibrations of CO<sub>2</sub> (about 1380 cm<sup>−1</sup>) increased as the amount of dissolved CO<sub>2</sub> increased although the peak intensity of IL (about 1420 cm<sup>−1</sup>) did not change. The intensity ratios for the peak of CO<sub>2</sub> against that of IL were defined to assess Raman spectra quantitatively. A comparison of the obtained intensity ratios with CO<sub>2</sub> solubility (CO<sub>2</sub> mole ratio to IL: <span><math><mrow><msubsup><mi>x</mi><msub><mtext>CO</mtext><mn>2</mn></msub><mo>′</mo></msubsup><mo>=</mo><mrow><msub><mi>n</mi><msub><mtext>CO</mtext><mn>2</mn></msub></msub><mo>/</mo><msub><mi>n</mi><mtext>IL</mtext></msub></mrow></mrow></math></span>, where <span><math><msub><mi>n</mi><mi>i</mi></msub></math></span> is the mole of component <em>i</em>) revealed that a consistent linear relationship could represent the data for all four ILs across three temperatures.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121352"},"PeriodicalIF":4.1,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143375717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Dynamic imaging of the effect of pore microstructure factors on fine particle migration and deposition during fluid flow through porous media

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-08 DOI: 10.1016/j.ces.2025.121346

Ke Wang , Chenzi Shi , Shuangyi Gong , Kuhan Chellappah , Philip J. Withers , Kevin G. Taylor , Robert Atwood , Lin Ma

The migration and deposition of fine particles in porous materials is critical in industries such as energy, pharmaceuticals, and environmental engineering. Using 3D time-lapse synchrotron X-ray imaging, we observe fine particles invading porous media, analyzing the effects of pore size and heterogeneity at both pore and macro scales. Glass beads model homogeneous and heterogeneous conditions, revealing a sequence of deposition processes: surface attachment, throat bridging, blocking, pore filling, compaction, and migration. A critical throat-to-particle size ratio of 1.7 governs deposition behavior. At the macro-scale, heterogeneities like beddings and flow pathways influence fines migration and deposition. Based on dynamic 3D imaging, we propose a mechanism for fines behavior in heterogeneous porous media. These findings enhance understanding of fines migration, offering a predictive framework for managing formation damage and optimizing filter cake design in drilling and clean energy applications.

{"title":"Dynamic imaging of the effect of pore microstructure factors on fine particle migration and deposition during fluid flow through porous media","authors":"Ke Wang , Chenzi Shi , Shuangyi Gong , Kuhan Chellappah , Philip J. Withers , Kevin G. Taylor , Robert Atwood , Lin Ma","doi":"10.1016/j.ces.2025.121346","DOIUrl":"10.1016/j.ces.2025.121346","url":null,"abstract":"<div><div>The migration and deposition of fine particles in porous materials is critical in industries such as energy, pharmaceuticals, and environmental engineering. Using 3D time-lapse synchrotron X-ray imaging, we observe fine particles invading porous media, analyzing the effects of pore size and heterogeneity at both pore and macro scales. Glass beads model homogeneous and heterogeneous conditions, revealing a sequence of deposition processes: surface attachment, throat bridging, blocking, pore filling, compaction, and migration. A critical throat-to-particle size ratio of 1.7 governs deposition behavior. At the macro-scale, heterogeneities like beddings and flow pathways influence fines migration and deposition. Based on dynamic 3D imaging, we propose a mechanism for fines behavior in heterogeneous porous media. These findings enhance understanding of fines migration, offering a predictive framework for managing formation damage and optimizing filter cake design in drilling and clean energy applications.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121346"},"PeriodicalIF":4.1,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371564","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}

引用次数: 0

Zeolite-catalyzed alkylation of lignincellulose-derived phenols and furan alcohols for synthesis of sustainable aviation fuel

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-08 DOI: 10.1016/j.ces.2025.121343

Ruijing Yang , Chengxiang Shi , Zhensheng Shen , Sichao Yang , Lun Pan , Zhenfeng Huang , Xiangwen Zhang , Ji-Jun Zou

Synthesis of biofuels from lignocellulosic depolymerization products is a promising path. However, the commonly used feedstocks are the downstream depolymerization products of lignocellulose. Here we report an effective method to produce biofuels from upstream depolymerization products of lignocellulose (i.e. lignin derived phenols and holocellulose derived furan alcohols). Phenols and furan alcohols undergo alkylation reaction with zeolite as catalyst, and then alkylation products can be turned into hydrocarbon fuel through hydrodeoxygenation reaction. For alkylation reaction, the key step is the electrophilic substitution reaction of carbocation formed under the catalysis of acid. For furfuryl alcohol with simple structure, the catalyst with large pore size and moderate acid content is sufficient to catalyze the reaction. For 5-hydroxymethylfurfural with higher steric hindrance, more acidic catalyst is required to promote the formation of carbocation. The two alkylation reactions can achieve both high conversion of furfural alcohol and selectivity of alkylation production over 85 %. The branched monocycloalkane fuel obtained by hydrodeoxygenation of alkylation products has a density of 0.807 g/cm³ (20 °C) and a freezing point less than −60 °C, meeting the requirements of RP-3 and is expected to become a main component of aviation jet fuel. This work provides ideas for the direct use of biomass depolymerization products to produce bio-aviation fuels with excellent performance.

{"title":"Zeolite-catalyzed alkylation of lignincellulose-derived phenols and furan alcohols for synthesis of sustainable aviation fuel","authors":"Ruijing Yang , Chengxiang Shi , Zhensheng Shen , Sichao Yang , Lun Pan , Zhenfeng Huang , Xiangwen Zhang , Ji-Jun Zou","doi":"10.1016/j.ces.2025.121343","DOIUrl":"10.1016/j.ces.2025.121343","url":null,"abstract":"<div><div>Synthesis of biofuels from lignocellulosic depolymerization products is a promising path. However, the commonly used feedstocks are the downstream depolymerization products of lignocellulose. Here we report an effective method to produce biofuels from upstream depolymerization products of lignocellulose (i.e. lignin derived phenols and holocellulose derived furan alcohols). Phenols and furan alcohols undergo alkylation reaction with zeolite as catalyst, and then alkylation products can be turned into hydrocarbon fuel through hydrodeoxygenation reaction. For alkylation reaction, the key step is the electrophilic substitution reaction of carbocation formed under the catalysis of acid. For furfuryl alcohol with simple structure, the catalyst with large pore size and moderate acid content is sufficient to catalyze the reaction. For 5-hydroxymethylfurfural with higher steric hindrance, more acidic catalyst is required to promote the formation of carbocation. The two alkylation reactions can achieve both high conversion of furfural alcohol and selectivity of alkylation production over 85 %. The branched monocycloalkane fuel obtained by hydrodeoxygenation of alkylation products has a density of 0.807 g/cm<sup>3</sup> (20 °C) and a freezing point less than −60 °C, meeting the requirements of RP-3 and is expected to become a main component of aviation jet fuel. This work provides ideas for the direct use of biomass depolymerization products to produce bio-aviation fuels with excellent performance.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"307 ","pages":"Article 121343"},"PeriodicalIF":4.1,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143371577","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}

引用次数: 0

Multiscale process systems engineering for electrochemically mediated CO2 capture: A mini-review

IF 4.1 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science

Pub Date : 2025-02-07 DOI: 10.1016/j.ces.2025.121340

Yongxin Hu , Longgang Sun , Teng Zhou

Electrochemically mediated CO₂ capture (EMCC) is a novel carbon capture technology. Despite its great potential, EMCC encounters technical and economic challenges. The Process Systems Engineering (PSE) methods and tools have potential to bridge the gap and overcome some obstacles in EMCC. This mini review offers an overview of innovations, opportunities, and challenges in EMCC from a multiscale PSE perspective. First, a brief introduction of different types of EMCC implementations is provided. Next, a thermodynamic model is proposed to analyze the impact of functional molecules (electrolyte), microstructure of electrode surface and cell structures on the system’s performance. Then, a multi-scale analysis is performed to examine the system across molecular-, meso-, unit-, and process-scales, with the potential applications of PSE methods explored. This study also shows that the EMCC technology can be further promoted by learning the experience from applying PSE methods to the flow battery and electrochemical reduction processes.

引用次数: 0

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Chemical Engineering Science

全部 Am. Mineral. Carbon Balance Manage. Environ. Educ. Res, ECOLOGY ARCT ANTARCT ALP RES 电力系统及其自动化学报 ERN: Other Macroeconomics: Aggregative Models (Topic) Int. J. Geog. Inf. Sci. Global Biogeochem. Cycles Energy Systems Études Caribéennes J. Atmos. Chem. Acta Geophys. Exp. Hematol. Ecol. Monogr. Curr. Appl Phys. J. Appl. Phys. EVOL MED PUBLIC HLTH Seismol. Res. Lett. Geophys. Prospect. OCEAN SCI J Equine veterinary journal. Supplement Appl. Geochem. Environ. Geochem. Health Ann. Phys. Ann. Glaciol. Am. J. Phys. Anthropol. ACTA GEOL SIN-ENGL ERN: Other IO: Empirical Studies of Firms & Markets (Topic) Exp. Biol. Med. Environ. Eng. Sci. "Laboratorio;" analisis clinicos, bacteriologia, inmunologia, parasitologia, hematologia, anatomia patologica, quimica clinica ATMOSPHERE-BASEL EUR PHYS J-APPL PHYS J. Clim. J. Afr. Earth. Sci. ACTA PETROL SIN ENG SANIT AMBIENT ENVIRON HEALTH-GLOB 2011 Conference on Lasers and Electro-Optics Europe and 12th European Quantum Electronics Conference (CLEO EUROPE/EQEC) PETROLOGY+ J OPT SOC AM B 非金属矿 Environ. Eng. Manage. J. Environ. Chem. Exp. Cell. Res. Chem. Ecol. Nucl. Sci. Tech. J. Nanophotonics GEOHERITAGE Hydrogeol. J. Aust. J. Earth Sci. ACTA GEOL POL Environmental dermatology : the official journal of the Japanese Society for Contact Dermatitis Archaeol. Anthropol. Sci. Acta Geochimica Acta Oceanolog. Sin. AAPG Bull. Geobiology COMP BIOCHEM PHYS C 国际生物医学工程杂志 Communications Earth & Environment Adv. Meteorol. Environ. Prog. Sustainable Energy Aquat. Geochem. Hydrol. Earth Syst. Sci. Adv. Atmos. Sci. Clean Technol. Environ. Policy Am. J. Sci. Environ. Pollut. Bioavailability Atmos. Res. IZV-PHYS SOLID EART+ J. Hydrol. Strategic Management Journal Clim. Change Org. Geochem. Annu. Rev. Earth Planet. Sci. Environ. Eng. Res. Big Earth Data Int. J. Biometeorol. ARCHAEOMETRY Int. J. Climatol. Conserv. Genet. Resour. Asia-Pac. J. Atmos. Sci. Basin Res. ASTRON ASTROPHYS Ecol. Res. ECOL RESTOR Clean-Soil Air Water Austrian J. Earth Sci. Atmos. Chem. Phys. Estudios Demográficos y Urbanos Environmental Progress Environmental Health Insights Environ. Technol. Innovation BIOGEOSCIENCES Conserv. Biol. Geosci. Front. Int. J. Disaster Risk Reduct. ECOTOXICOLOGY

﹀