AIChE Journal最新文献_第10页

Vision transformers for three-phase flow classifications with data augmentation through generative adversarial networks 通过生成对抗网络进行数据增强的三相流分类视觉转换器

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-28 DOI: 10.1002/aic.70002

Muhammad Waqas Yaqub, Xizhong Chen

引用次数: 0

Gas–liquid mass transfer enhancement by simply modifying a T-junction microchannel 通过简单修改T结微通道增强气液传质

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-28 DOI: 10.1002/aic.70017

Lin Sheng, Wenle Xu, Zhixuan Chen, Jian Deng, Tong Qiu, Guangsheng Luo

引用次数: 0

Computational molecular engineering of ionic liquids for CO2 drying: Design strategies and molecular mechanisms 用于CO2干燥的离子液体的计算分子工程：设计策略和分子机制

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-26 DOI: 10.1002/aic.70014

Fei Zhao, Shuqing Liu, Qinghua Liu, Yongqiang Cheng, Minghao Song, Qingzhi Lv, Bin Jiang, Guoxuan Li, Peizhe Cui, Zhigang Lei

{"title":"Computational molecular engineering of ionic liquids for CO2 drying: Design strategies and molecular mechanisms","authors":"Fei Zhao, Shuqing Liu, Qinghua Liu, Yongqiang Cheng, Minghao Song, Qingzhi Lv, Bin Jiang, Guoxuan Li, Peizhe Cui, Zhigang Lei","doi":"10.1002/aic.70014","DOIUrl":"10.1002/aic.70014","url":null,"abstract":"Gas drying, as an important unit operation in the field of chemical engineering, is critically dependent on the selection of an efficient solvent. In this work, a computer-aided ionic liquid design method was used to design ionic liquids for CO2 drying. A candidate ionic liquid was synthesized, and its drying performance was experimentally evaluated based on the saturated vapor pressure of H2O and the solubility of CO2. A random forest model was trained to predict CO2 solubility in ionic liquids. SHAP analysis was used to explore the impact of different ionic liquid structures on solubility. Quantum chemical calculations and molecular dynamics simulations were used to investigate the types of intermolecular interactions, interaction locations, and molecular distribution at the gas–liquid interface. The results indicate that the determined ionic liquid has excellent drying potential, with strong hydrogen bonding between the anion and water playing a dominant role in the separation process.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144710764","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

Boosting middle hydroxyl adsorption on lignin-derived carbon loaded MnO–Ni for glycerol conversion to dihydroxyacetone 促进木质素衍生碳负载MnO-Ni在甘油转化为二羟基丙酮过程中的中间羟基吸附

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-26 DOI: 10.1002/aic.70012

Haichao Zhou, Jianglin Liu, Dalang Chen, Yanlin Qin, Tiejun Wang, Xueqing Qiu, Xuliang Lin

{"title":"Boosting middle hydroxyl adsorption on lignin-derived carbon loaded MnO–Ni for glycerol conversion to dihydroxyacetone","authors":"Haichao Zhou, Jianglin Liu, Dalang Chen, Yanlin Qin, Tiejun Wang, Xueqing Qiu, Xuliang Lin","doi":"10.1002/aic.70012","DOIUrl":"10.1002/aic.70012","url":null,"abstract":"The electrochemical conversion of glycerol into dihydroxyacetone (DHA) under mild conditions efficiently addresses glycerol surplus, enhancing its economic value. However, DHA production efficiency remains constrained by steric hindrance from secondary hydroxyl groups and sluggish glycerol electro-oxidation reaction (GOR) kinetics in weakly alkaline conditions. Herein, lignin-derived carbon-supported MnO–Ni heterojunction catalyst (MnO–Ni/C) is synthesized via self-assembly precipitation and in situ pyrolysis. The optimized MnO–Ni/C catalyst requires a low potential of 1.58 V to achieve 10 mA cm−2, 270 mV lower than the oxygen evolution reaction (OER). It attains a 53.37% DHA selectivity with a high production rate of 864.75 mmol m−2 h−1 at 1.8 V. MnO–Ni/C heterostructures modulate the local electronic structure of Ni sites, optimizing glycerol adsorption configuration and enhancing selective adsorption of secondary hydroxyl groups and oxygen active species near the electrode surface. These synergistic effects significantly improve GOR kinetics and DHA production efficiency.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144710765","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

Investigation of the macro reaction kinetics of H2S absorption by deep eutectic solvents enhanced with nanoparticles 纳米颗粒增强深共晶溶剂吸附H2S的宏观反应动力学研究

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-24 DOI: 10.1002/aic.70001

Penghao Gao, Shihui Wang, Futang Liu, Xiaole Dong, Peiling Gao, Qingmei Meng, Xinpeng Liu

{"title":"Investigation of the macro reaction kinetics of H2S absorption by deep eutectic solvents enhanced with nanoparticles","authors":"Penghao Gao, Shihui Wang, Futang Liu, Xiaole Dong, Peiling Gao, Qingmei Meng, Xinpeng Liu","doi":"10.1002/aic.70001","DOIUrl":"10.1002/aic.70001","url":null,"abstract":"Macro kinetics study of H2S absorption by nanofluids is of great significance for revealing the limiting factors of reaction and ensuring industrial safety. Nanoparticles with different dimensions were introduced into deep eutectic solvent-based solutions to construct nanofluid systems for H2S absorption. The mass transfer resistance, mass transfer coefficient and absorption rate of H2S in nanofluid systems were quantified by a double-mixed gradientless gas–liquid reactor. The results showed that the addition of nanoparticles significantly enhanced the absorption rate of H2S, and the increase in temperature is beneficial to mass transfer. Resistance analysis showed that the unique role of nanoparticles in liquid phase was the key factor to reduce mass transfer resistance and enhance gas–liquid absorption. Based on the reported theory and experimental results, an ‘ascending/descending’ synergistic enhancement mechanism of nanoparticles, including the active capture and transport effect of nanoparticles as well as the reduction of mass transfer resistance, was proposed.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102175","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

Comparison of in situ and ex situ electrolytic hydrogen supply for electricity-driven single-cell protein production 电驱动单细胞蛋白质生产的原位和非原位电解供氢比较

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-23 DOI: 10.1002/aic.70004

Jinpeng Yu, Gaoyuan Shang, Hong Zhang, Yuhan Guo, Yaohuan Gao, Wenfang Cai, Kai Cui, Kun Guo

{"title":"Comparison of in situ and ex situ electrolytic hydrogen supply for electricity-driven single-cell protein production","authors":"Jinpeng Yu, Gaoyuan Shang, Hong Zhang, Yuhan Guo, Yaohuan Gao, Wenfang Cai, Kai Cui, Kun Guo","doi":"10.1002/aic.70004","DOIUrl":"10.1002/aic.70004","url":null,"abstract":"Both in situ and ex situ hydrogen supply modes have been used to produce single-cell protein from CO2 with hydrogen-oxidizing bacteria (HOB), but a systematic comparison is lacking. This study evaluates hydrogen supply modes using a gas-lift reactor with internal and external electrolyzers. The in situ mode had a significantly higher hydrogen mass-transfer coefficient (1.33 min−1) than the ex situ mode (0.13 min−1), resulting in 18% greater biomass productivity (0.26 vs. 0.22 g/L/day). HOB grew as biofilm and suspension in the in situ mode, while in suspension only under the ex situ mode. Protein content was higher in the in situ mode (57.3%) than in the ex situ mode (47.7%). Although electrolysis energy consumption was 70% higher in the in situ mode, total energy consumption was lower due to reduced reactor heating needs. These findings indicate the in situ mode outperforms the ex situ mode in biomass productivity, protein quality, and energy efficiency.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145102136","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

Spatial–temporal evolution of entire layer thickness during dip coating with vertical withdrawal of Newtonian fluids 牛顿流体垂直退出浸涂过程中全层厚度的时空演化

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-20 DOI: 10.1002/aic.70000

Heng-Kuan Zhang, Ya-Ran Yin, Cécile Lemaitre, Xian-Ming Zhang, Guo-Hua Hu

引用次数: 0

Molecular sieving of di-branched hexane isomers in a self-adaptive adsorbent for benchmark research octane number gasoline production 自适应吸附剂中二支己烷异构体的分子筛选，用于辛烷值汽油生产的基准研究

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-20 DOI: 10.1002/aic.70007

Xing Liu, Hao Wang, Peixin Zhang, Hanting Xiong, Ke Wu, Yan Zhang, Zhenliang Zhu, Shuangqing Shang, Junhui Liu, Zhenning Deng, Jingwen Chen, Zhenyu Zhou, Shixia Chen, Shuguang Deng, Jun Wang

{"title":"Molecular sieving of di-branched hexane isomers in a self-adaptive adsorbent for benchmark research octane number gasoline production","authors":"Xing Liu, Hao Wang, Peixin Zhang, Hanting Xiong, Ke Wu, Yan Zhang, Zhenliang Zhu, Shuangqing Shang, Junhui Liu, Zhenning Deng, Jingwen Chen, Zhenyu Zhou, Shixia Chen, Shuguang Deng, Jun Wang","doi":"10.1002/aic.70007","DOIUrl":"10.1002/aic.70007","url":null,"abstract":"Effective separation of isomers is critical in various industrial applications, particularly in the production of high research octane number (RON) gasoline. This study introduces a novel flexible adsorbent, NCU-542 ([Zn-BTEC-TEIB] [H4BTEC = pyromellitic acid, TEIB = 1,2,4,5-tetra(1H-imidazol-1-yl)benzene]), featuring self-adaptive pore systems for the molecular sieving of di-branched 2,3-dimethylbutane (23DMB) and 2,2-dimethylbutane (22DMB) isomers. The unique self-adaptive framework of NCU-542 selectively adsorbs 23DMB (RON = 101.7) while excluding 22DMB (RON = 91.8). Consequently, a record-high adsorption capacity difference of 235.2 mg g−1 and an uptake ratio of 73.3 are achieved between 23DMB/22DMB. The diffusional time constant (D′, D/r2) for 23DMB (1.03 × 10−3 s−1) is 130-fold higher than that of 22DMB (7.76 × 10−6 s−1) and benchmark rigid JNU-2 (6.5 × 10−6 s−1). Furthermore, breakthrough experiments demonstrate the production of premium gasoline with a benchmark RON value of 99.2 from the equimolar mixture of n-hexane/2-methylpentane/3-methylpentane/23DMB/22DMB. Within the liquid system, 23DMB can be completely removed from 23DMB/22DMB solutions for five consecutive cycles under ambient conditions.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144669619","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

Ligand-modified PdPb bimetallenes electrocatalysts for efficient PET upcycling 配体修饰PdPb双金属烯电催化剂用于PET高效升级回收

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-17 DOI: 10.1002/aic.70006

Zekai Shen, Ziqiang Niu, Liang Zhang, Xuewen Wei, Zhaoyou Zhu, Fengbin Zheng, Shuli Yin, Shuai Wang

引用次数: 0

Efficient in situ cell modeling boosts catalytic microkinetics quantification by transient infrared spectroscopy 高效的原位细胞建模促进了瞬态红外光谱催化微动力学的定量

IF 4 3区工程技术

AIChE Journal Pub Date : 2025-07-17 DOI: 10.1002/aic.70003

Runfa Qiu, Haoyuan Gu, Didi Li, Shiqing Jin, Chuang Gao, Wenhao Zhang, Zhaocong Jiang, Bo Sun, Chenxi Cao, Minghui Zhu

{"title":"Efficient in situ cell modeling boosts catalytic microkinetics quantification by transient infrared spectroscopy","authors":"Runfa Qiu, Haoyuan Gu, Didi Li, Shiqing Jin, Chuang Gao, Wenhao Zhang, Zhaocong Jiang, Bo Sun, Chenxi Cao, Minghui Zhu","doi":"10.1002/aic.70003","DOIUrl":"10.1002/aic.70003","url":null,"abstract":"Operando diffuse reflectance infrared Fourier transform spectroscopy, when combined with transient kinetics approaches, enables quantification of key intermediates and intrinsic kinetics over industrial heterogeneous catalysts. However, these measurements are blurred by residual species within in situ cells due to complex nonideal flow during rapid gas switching. Herein, we model the cell using ideal reactor combinations, with parameters fitted via residence time distribution experiments for two commercial cells by an in-house code. Then, steady-state isotope transient kinetic analysis was conducted for methanol steam reforming to derive rate constants for crucial surface reactions. Our approach estimated microkinetic parameters precisely and consistently across both cell designs, prevailing over conventional methods that produced inconsistent results. This analytical framework not only boosts the effectiveness of existing in situ cells in catalytic process development, but also lays a critical foundation for the design and optimization of next-generation spectroscopic systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"71 10","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101665","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