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Sheared settling in viscoelastic shear‐thinning fluids: Empirical studies and model development AlChE J. (IF 3.7) Pub Date : 2024-04-30 Chukwunonso Chinedu Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
The hydrotransport of settling particles using laminar flow as opposed to the more energy‐ and water‐intensive turbulent flow has remained a tentative option for industries due to the complexity in characterizing particle settling dynamics in opaque non‐Newtonian fluids under sheared conditions. To provide insight into this unknown physics, this study focused on viscoelastic shear‐thinning fluids and
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Non‐coalescence of nonidentical droplets in oil under a DC electric field AlChE J. (IF 3.7) Pub Date : 2024-04-25 Xin Huang, Mindan Chen, Yunyun Huang, Xiaoming Luo, Lin Teng, Longqiang Xiao, Jiaqing Li
Excessive electric field strength causes the droplets to contact but not coalesce, severely deteriorating the oil–water separation efficiency. The investigation of the non‐coalescence of nonidentical droplets in oil under a DC electric field is conducted using high‐speed photography. The effects of droplet volume ratio and interfacial tension ratio on the characteristics and critical parameters for
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Design and operation of modular biorefinery supply chain under uncertainty using generalized Benders decomposition AlChE J. (IF 3.7) Pub Date : 2024-04-23 Yuqing Luo, Marianthi Ierapetritou
Biomass supply chain performance is heavily affected by uncertainties stemming from supply, demand, or unexpected disruptions. Unlike petrochemical plants that use crude oil, biorefineries often have to deal with the uneven spatial‐temporal distribution of feedstock supply. The modular production strategy provides more flexibility in chemical manufacturing by allowing fast capacity expansion and unit
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An efficient polar cubic equation of state for predictive modeling of phase behavior and critical phenomena of mixtures AlChE J. (IF 3.7) Pub Date : 2024-04-23 Mohammed I. L. Abutaqiya, Bennett D. Marshall
A polar cubic equation of state (EOS) is developed by incorporating the dipolar theory of Jog and Chapman into the Soave‐Redlich‐Kwong (SRK) EOS. We propose simplifying assumptions in the dipolar term of Jog and Chapman to reduce the double and triple sums in the theory to single sums. The simplified version of the dipolar theory can significantly improve computational speed and can be used with either
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Adsorption weakening mechanism and regulation strategy of aluminum-based lithium adsorbents in carbonate-style brines AlChE J. (IF 3.7) Pub Date : 2024-04-18 Jun Chen, Jiaqi Jin, Jianguo Yu, Sen Lin
An efficient adsorption-strengthening regulation was developed for aluminum-based lithium adsorbents (Li/Al-LDHs) in carbonate-type salt lakes based on reasons for adsorption performance degradation. It was confirmed by adsorption–desorption experiments and density functional theory (DFT) that CO32− in brines preferentially entered Li/Al-LDH interlayers with a tighter binding energy to the laminates
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An auto-configurable machine learning framework to optimize and predict catalysts for CO2 to light olefins process AlChE J. (IF 3.7) Pub Date : 2024-04-17 Qingchun Yang, Yingjie Fan, Dongwen Rong, Ruijie Bao, Dawei Zhang
This study proposed an auto-configurable machine learning framework based on the differential evolution algorithm (AutoML-DE) driven by hybrid data for the screening and discovery of promising CO2 to light olefins (CO2TLO) catalysts candidates. The hybrid dataset comprises 532 experimental data from the literature and 296 simulation data. Results show that the AutoML-DE model with extreme gradient
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Direct biosynthesis of massive intracellular CdSe QDS across entire S. oneidensis MR-1 for photosynthesis of hydrogen AlChE J. (IF 3.7) Pub Date : 2024-04-17 Xiaofeng Yi, Shurui Liu, Yixin Li, Qingliu Luo, Qingbiao Li, Dong Xia, Yuanpeng Wang
Intracellular biosynthesis of massive quantum dots inside bacteria remains a grand challenge, with such a technology unsatisfactory due to the high toxicity of metal ions to the cell and the ultralow yield of quantum dots. Herein, a gshA-overexpressed Shewanella oneidensis MR-1 strain was constructed with the ability to effectively detoxify SeO32− species, rendering the formation of substantial CdSe
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Ionic liquid for simultaneous desulfurization and dehydration of flue gas: Data-driven thermodynamics and mechanisms AlChE J. (IF 3.7) Pub Date : 2024-04-17 Fei Zhao, Qinghua Liu, Minghao Song, Hongwei Kang, Shuqing Liu, Yongqiang Cheng, Zhigang Lei
A process of simultaneous desulfurization and dehydration of flue gas with ionic liquid was explored. The selection of ionic liquid was completed based on COSMO-SAC model. Random forest (RF) and one-dimensional convolutional neural network were trained for the prediction of CO2 and SO2 solubility. A feature selection method is designed to remove verbose descriptors. The feature importance was analyzed
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Efficient electrolysis of CO2 capture solution to syngas over Ni-N-C catalyst AlChE J. (IF 3.7) Pub Date : 2024-04-17 Xuedi Sheng, Wangxin Ge, Lei Dong, Hongliang Jiang, Chunzhong Li
Carbon dioxide (CO2) electrolysis is an important process for storing excess renewable electricity. However, this process is commonly carried out in a high-purity-CO2 environment. Here, we conduct a systematic investigation into the operational performance of CO2 capture solutions for producing syngas. Using Ni-N-C electrocatalysts, by reducing the thickness of the catalytic layer and accelerating
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An environmental corrected descriptor based on d-orbital spin states for atomically dispersed dual-metal catalysts AlChE J. (IF 3.7) Pub Date : 2024-04-17 Linkai Han, Wenhao Qiu, Zhonghua Xiang
Atomically dispersed dual-metal sites catalysts, also named as dual-atom catalysts, have become a frontier, since they combine the merits of homogeneous and heterogeneous catalysts to satisfy the demands for critical catalytic reactions in green energy industrial equipment. However, the absence of further understanding for the evolution of catalyst structures in reaction environments results in a significant
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Quality by design of solid‐phase peptide/protein coupling reaction via mechanistic reaction kinetics modeling approach AlChE J. (IF 3.7) Pub Date : 2024-04-12 Jingyao Wang, Paridhi Agrawal, Mark R. Berglund, Jennifer McClary Groh, Michael E. Kopach, Kevin D. Seibert, Shekhar K. Viswanath
The peptide coupling reaction is one of the most critical steps in the solid phase synthesis of therapeutic peptides/proteins. Improper reaction conditions can result in several common impurities such as single amino acid deletions, additions, N‐terminus modifications, and D‐isomers, all while potentially impacting the active pharmaceutical ingredient critical quality attributes. In this work, we developed
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Insights into reaction–diffusion behaviors of acetylene selective hydrogenation on pellet catalysts AlChE J. (IF 3.7) Pub Date : 2024-04-12 Yao Shi, Yanan Sui, Yueqiang Cao, Xiaohu Ge, Xiangkun Liu, Hongyu Li, Wenyao Chen, Gang Qian, Xinggui Zhou, Xuezhi Duan
In this work, a particle‐resolved computational fluid dynamics model of the acetylene hydrogenation process is developed to investigate the effects of catalyst particle structures on the reaction–diffusion behaviors aiming to improve selectivity toward target ethylene. The effects of packing structures on mass and heat transfer are explored by employing particles with varying shapes, wall thicknesses
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The effect of different solvents on the formation of large‐area MOF membranes AlChE J. (IF 3.7) Pub Date : 2024-04-10 Fan Zhou, Yanling Chen, Zhengqing Zhang, Zhenjie Gu, Yuxiu Sun, Minman Tong, Qingyuan Yang, Wenjun Dong, Yichang Pan, Zhihua Qiao, Chongli Zhong
Metal–organic framework (MOF) membranes are widely used in gas separation processes. However, the effect of solvents on the formation of large‐area MOF membranes, which directly influences separation performance, has rarely been investigated. In this study, three solvents (methanol, ethanol, and water) were selected to systematically investigate their effects on the zeolite imidazolium frameworks (ZIF)
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Application and parameterization of a one‐dimensional multifluid population balance model to bubble columns AlChE J. (IF 3.7) Pub Date : 2024-04-10 Ferdinand Breit, Christian Weibel, Erik von Harbou
A one‐dimensional (1D) multifluid population balance model approach is presented as a compromise between computational effort and accuracy. The approach is used to test process scenarios, perform sensitivity analysis, and provide a reliable reactor scale‐up and optimization tool. The article focuses on a mini‐plant batch bubble column, where the scale‐up behavior in terms of bubble column height, gas
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Image‐based hybrid model incorporating initial spatial distribution for mesenchymal stem cell cultivation process design AlChE J. (IF 3.7) Pub Date : 2024-04-09 Keita Hirono, Yusuke Hayashi, Isuru A. Udugama, Yuto Takemoto, Ryuji Kato, Masahiro Kino‐oka, Hirokazu Sugiyama
This work presents an image‐based hybrid model incorporating the initial spatial distribution for mesenchymal stem cell (MSC) cultivation process design. First, three levels of seeding bias in static MSC cultivation were experimentally investigated, and the resulting initial distribution was quantified using phase contrast microscopy image analysis. Second, the observed spatial heterogeneity was defined
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Induction vacuum swing adsorption over magnetic sorbent monoliths and extrudates for ethylene/ethane separation AlChE J. (IF 3.7) Pub Date : 2024-04-09 Khaled Baamran, Usman Shareef, Fateme Rezaei
Electrification of adsorption processes is emerging as an adaptable solution for future gas separations. This study develops magnetic sorbent structures for use in induction vacuum swing adsorption (IVSA) process specifically designed for olefin/paraffin separation. Two sorbents, namely Fe3O4/ZIF‐7 (ethane‐selective) and Fe3O4/13X (ethylene‐selective) were developed and formulated into extrudates (Fe20/ZIF‐7‐P)
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Spin modulation of single Fe atoms with thiolate‐poisoned Pd nanoclusters for highly efficient ammonia synthesis AlChE J. (IF 3.7) Pub Date : 2024-04-08 Bin Zhang, Chen Yang, Yunjiao Jia, Guohui Nie, Guidong Yang
Nitrate reduction toward ammonia is pivotal in energy and environmental domains but faces challenges in achieving simultaneous high selectivity and activity. Manipulating interactions between intermediates and metal species is deemed effective for catalytic enhancement. In this study, a uniformly configured Fe1‐N4 single‐atom catalyst with four‐coordination was synthesized. Subsequent deposition of
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Phase behavior of sodium and potassium salts in their aqueous solutions: Experiment and computational thermodynamics AlChE J. (IF 3.7) Pub Date : 2024-04-08 Hongwei Kang, Guoxuan Li, Zhigang Lei
With the rapid development of the semiconductor industry, the demand for ultraclean and high‐purity electronic chemicals, especially ultrapure water as a general solvent for cleaning semiconductor chips, has increased dramatically. The distillation process is a good choice for large‐scale production of ultrapure water that can be used to clean semiconductor chips, but there is a lack of basic thermodynamic
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Large‐scale computational screening of highly effective zeolites for trace PH3 capture from hydrogen AlChE J. (IF 3.7) Pub Date : 2024-04-03 Kexin Yan, Gui Tong, Weiqun Gao, Bihong Li, Weizhen Sun, Ling Zhao
Developing highly efficient adsorbents to remove trace PH3 from circulating H2 is essential for electronic‐grade silica production. Here, the pure PH3 adsorption and PH3/H2 separation performances of 103 all‐silica zeolites under various operating conditions were simulated using grand canonical Monte Carlo simulation. Based on our well‐validated force field, the optimal ranges of zeolites and the most
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Machine learning meets process control: Unveiling the potential of LSTMc AlChE J. (IF 3.7) Pub Date : 2024-04-03 Niranjan Sitapure, Joseph Sang‐Il Kwon
In the past three decades, proportional‐integral/PI‐differential (PI/PID) controllers and model predictive controller (MPCs) have predominantly governed complex chemical process control. Despite their advancements, these approaches have limitations, with PI/PID controllers requiring scenario‐specific tuning and MPC being computationally demanding. To tackle these issues, we introduce the long‐short‐term‐memory
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Experiment and microscopic analysis for the separation of isopropanol-water using hydrophobic deep eutectic solvents AlChE J. (IF 3.7) Pub Date : 2024-03-27 Jiuxu Ruan, Yu Wang, Zihao Su, Dingchao Fan, Mengjin Zhou, Zeyu Zhang, Jianguang Qi, Yinglong Wang, Peizhe Cui
In this study, a method for separating isopropanol from wastewater using hydrophobic deep eutectic solvents (DESs) synthesized from terpenes and capric acid was proposed. The distribution coefficient and selectivity value of isopropanol (IPA) in the solvents were determined by liquid–liquid extraction experiments, and the extraction performances of the solvents at different molar ratios and temperatures
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Integrated Bayesian parameter estimation with model-based design of experiments for dynamic processes AlChE J. (IF 3.7) Pub Date : 2024-03-27 Xinyu Cao, Xi Chen, Lorenz T. Biegler
Integration of Bayesian parameter estimation (BPE) with model-based design of experiments (MBDoE) aims to estimate process parameters efficiently and systematically. To achieve more efficient use of resources by iteratively selecting informative experiments based on current knowledge about the parameters, an integrated method with BPE and MBDoE is proposed in this article. A built-in Markov Chain Monte
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Hydrothermal synthesis of highly cross-linked PtZn@Silicalite-1 structured catalysts for propane dehydrogenation AlChE J. (IF 3.7) Pub Date : 2024-03-27 Liming Xia, Bofeng Zhang, Gang Hou, Li Wang, Sibao Liu, Guozhu Liu
Structured catalysts coatings exhibit excellent performance on non-adiabatic gas–solid process, deriving from their enhanced heat and mass transfer properties. However, the coating catalysts prepared by traditional hydrothermal method of zeolite encapsulating noble metal are prone to spalling, especially under conditions of large flow rate and high temperature. Herein, we prepared PtZn clusters encapsulated
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Water vapor effects on attrition and elemental migration of iron-based oxygen carrier in chemical looping combustion AlChE J. (IF 3.7) Pub Date : 2024-03-27 Neng Huang, Ayokunle Omosebi, Xin Gao, Dimitrios Koumoulis, Kunlei Liu
Chemical looping combustion (CLC) offers a novel approach to simultaneous power generation and carbon capture. However, the commercial viability of CLC depends on durable and cost-effective oxygen carriers (OCs). This study assesses the impact of water vapor (WV) on the attrition of red mud OC, crucial for industrial CLC deployment. Findings indicate a significant reduction in the average attrition
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Boosting primary amines renewable tandem synthesis via defect engineering of NiCo alloy AlChE J. (IF 3.7) Pub Date : 2024-03-27 Yang Zhao, Qian Wang, Huifang Wu, Lirong Zheng, Zhexi Gao, Xuanlin Guo, Xingzhong Cao, Dianqing Li, Junting Feng
Reductive amination of biomass aldehydes is a vital process to synthesize chemical intermediates primary amine, but the selectivity is severely compromised by the self-condensation of highly reactive imine intermediates. Herein, we proposed a solution by manipulating the adsorption configuration of secondary imine via defect engineering. Specifically, a gradient reduction strategy was used to adjust
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Establishment of light‐dependent photo‐thermal kinetic model for methane dry reforming and performance optimization in a cavity reactor AlChE J. (IF 3.7) Pub Date : 2024-03-28 Ji‐Long Yao, Zhen‐Yu Zhang, Bo‐Yu Xu, Ting Li, Pan‐Wei Bai, Wen‐Peng Liang, Tao Xie
Solar methane dry reforming (MDR) reaction is a highly promising technology for long‐term energy storage due to its eco‐friendly nature and high‐value‐added product. Numerous present works mainly focused on the photo‐thermal catalysts, few of them discussed photo‐thermal coupled kinetics. Therefore, this article proposed a light‐dependent kinetic model for MDR. In the model, not only the effect of
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Magnetic Fe‐Ni bimetallic oxide shell nanorods containing anti‐protein polymer segments for protein purification AlChE J. (IF 3.7) Pub Date : 2024-03-22 Ting Wang, Yanting Lyu, Mudasir Ahmad, Baoliang Zhang
In this paper, BSA surface‐imprinted magnetic Fe‐Ni bimetallic oxide shell nanorods (m‐FeNi@MIPs@PCBMA) were prepared with the assistance of poly(3‐[[2‐(methacryloyloxy)ethyl]dimethylammonium] propionate (PCBMA) in connection with the surface‐imprinting technique. The Fe‐Ni bimetallic oxide shell layer nanorods (m‐FeNi) with magnetic responsiveness simplified the separation and recovery process of
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Ni active sites isolated by antimony toward enhanced propyne semi‐hydrogenation AlChE J. (IF 3.7) Pub Date : 2024-03-18 Jiahang Xi, Kelin Yan, Ningchao Zhu, Xiaohu Ge, Qiang Yuwen, Mingming Chen, Hao Jiang, Yueqiang Cao, Xinggui Zhou, Xuezhi Duan
Regulating Ni active sites toward the formation of target product is of great importance for designing high‐performance cost‐effective catalysts for catalytic semi‐hydrogenations but remains challenging. Herein, we report the fabrication of NiSb intermetallic catalyst via structural transformation from a layered double hydroxides precursor for boosting propyne semi‐hydrogenation. Systematic characterizations
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Tailoring a MOF‐based adsorbent with partitioned aliphatic pore spaces for efficient CH4 purification from natural gas AlChE J. (IF 3.7) Pub Date : 2024-03-18 Kang Wang, Yao Jiang, Mingming Xu, Dongdong Zheng, Shaojun Jia, Peng Cui
Separation of CH4 from natural gas is an essential but extremely challenging process in the petrochemical industry. Here, we tailored a MOF‐based adsorbent with partitioned aliphatic pore spaces through the simultaneous incorporation of the aliphatic sites and the symmetrically matched partition agent. The resulting adsorbent demonstrates exceptional adsorption capacity for C3H8 and C2H6 compared to
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Spaced‐confined capsule catalysts with tunable micro‐environments for efficient CO2 conversion AlChE J. (IF 3.7) Pub Date : 2024-03-18 Hao Wu, Lisheng Guo, Xianbiao Wang, Wenjie Zhou, Fang Chen, Da Li, Kai Liu, Peipei Ai, Yuxue Wei, Mengdie Cai, Song Sun
CO2 as a greenhouse gas causes a series of issues, and catalytic utilization of CO2 to fuels is a favorable strategy. Herein, we report the discovery in CO2 hydrogenation reaction where C5+ yield can be evidently improved by encapsulating ZnFe2O4 inside ZSM‐5, in which the micro‐environments of core‐shell components can be tuned. For the ZnFe2O4, the K promoter makes the FeC structure more electron
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New and facile recovery strategy for silver, copper, and nickel from waste silver contacts using polyiodide ionic liquids AlChE J. (IF 3.7) Pub Date : 2024-03-18 Xiaolu Yin, Shuping Wang, Ronghao Liu, Xiaoxia Liu, Peng Liu, Yanzhao Yang
This work proposed a novel strategy for recovering Ag, Cu, and Ni from waste silver contacts (WSCs) using polyiodide ionic liquids (ILs). Our method exhibited exceptional leaching efficiency (Ag: 98.7%, Cu: 99.1%) and remarkable reusability (over 6 cycles). In contrast to a traditional three‐step leaching‐extraction‐striping process, our polyiodide ILs present a significant simplification. This approach
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Experimental study on the differences between bubble and drop breakages in agitated turbulent flows AlChE J. (IF 3.7) Pub Date : 2024-03-18 Ling Zhang, Zaifen Huang, Yuyu Fu, Runci Song, Zhengming Yi, Yefeng Zhou, Luchang Han
The available experimental data focusing on the differences between bubble and drop breakages are still scarce in the literature. This work conducts the experiments of single bubble and single drop breakages in agitated turbulent flows. The effects of fluid particle size and agitation speed on daughter fragment number, breakage time, breakage probability, breakage frequency, and daughter size distribution
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Physics‐informed learning of chemical reactor systems using decoupling–coupling training framework AlChE J. (IF 3.7) Pub Date : 2024-03-18 Zhiyong Wu, Mingjian Li, Chang He, Bingjian Zhang, Jingzheng Ren, Haoshui Yu, Qinglin Chen
It is known that physics‐informed learning become a new learning philosophy that has been applied in many scientific domains. However, this approach often struggles to achieve optimal performance in addressing the issue of multiphysics coupling. Here, for the first time, we extend this approach to modeling chemical reactor systems. We design a new decoupling–coupling training framework, which consists
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Efficient construction of multi‐stimuli responsive colloidosomes for intelligent transmembrane transport AlChE J. (IF 3.7) Pub Date : 2024-03-13 Rong‐Kun Liu, Jia Jia, Qian Sun, Hong Zhao, Jie‐Xin Wang
The colloidosome, as a kind of Pickering microcapsule, offers a highly functionalizable approach for encapsulation, but current studies mainly focus on shells that lack real‐time modulated permeability. Herein, a scalable spray drying method was employed to fabricate temperature/near‐infrared (NIR)/magnetic multi‐stimuli responsive colloidosomes with adjustable permeability, facilitating intelligent
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Data‐driven plant‐model mismatch quantification in closed‐loop system based on output predictions AlChE J. (IF 3.7) Pub Date : 2024-03-13 Yimiao Shi, Xiaodong Xu, Stevan Dubljevic
The assessment and diagnosis of controller performance for model‐based closed‐loop control systems has received considerable attention in recent years. A recognized factor dilapidating the controller performance is mismatching the true dynamical model of the plant and the mathematic model employed in the controller. In order to reduce the heavy effort to re‐identify the entire model, a large amount
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Adaptively exploring the feature space of flowsheets AlChE J. (IF 3.7) Pub Date : 2024-03-13 Johannes Höller, Martin Bubel, Raoul Heese, Patrick Otto Ludl, Patrick Schwartz, Jan Schwientek, Norbert Asprion, Martin Wlotzka, Michael Bortz
Simulation and optimization of chemical flowsheets rely on the solution of a large number of nonlinear equations. Finding such solutions can be supported by constructing machine learning‐based surrogate models, relating features and outputs by simple, explicit functions. In order to generate training data for those surrogate models computationally efficiently, schemes to adaptively sample the feature
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Photo‐regulated synergistic catalysis of acid and basic sites in metal–organic framework AlChE J. (IF 3.7) Pub Date : 2024-03-13 Hui Wen, Yao Nian, Peng Tan, Hang‐Ou Qi, Chen Gu, Tao Yang, You Han, Lin‐Bing Sun
Enzymes have flexible structures and can modulate the multiple catalytic sites efficiently for synergistic catalysis. Inspired by enzymes, various artificial catalysts have been designed, while controllable synergistic effects in artificial catalysts have never been reported. Here, we report the first example of photo‐regulated synergistic catalyst (PRSC) and the synergistic effects between acidic
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Highly efficient capture of CO2 through the synergy of intramolecular amines within piperazine‐derived alcoholamines AlChE J. (IF 3.7) Pub Date : 2024-03-13 Shaojun Jia, Yao Jiang, Songtao Zheng, Yi Li, Yan Wu, Xiao‐Qin Liu, Peng Cui
Amine‐scrubbing‐based chemical absorption remains a prominent CO2 capture process. However, the overall efficiency of conventional amine absorbents is hard to meet the ever‐increasing demands for CO2 capture. Consequently, developing powerful absorbents for efficient and cost‐effective CO2 capture is greatly important but challenging. Here, a new type of amine absorbent with improved solubility and
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Mesoporous coordinated polymers with single‐metal‐site iridium for efficient catalysis in propylene hydroformylation AlChE J. (IF 3.7) Pub Date : 2024-03-13 Chenfei Yao, Wenjie Xiong, Haining Sun, Xin Wang, Zhibing Zhang, Xingbang Hu
Heterogeneous single‐metal‐site catalysts (SMSCs) have received increasing attention due to their outstanding stability and recyclability. In this work, a novel Ir‐based SMSC was successfully constructed through the coordination polymerization between zirconium and triphenylphosphine derivatives with carboxyl functional groups for efficient propylene hydroformylation with CO. The Ir‐based SMSC reported
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Coupling coarse-grained DEM-CFD and intraparticle model for biomass fast pyrolysis simulation and experiment validation AlChE J. (IF 3.7) Pub Date : 2024-03-12 Bing Wang, Jianjian Dai, Sijie Li, Yixi Lin, Michael Patrascu, Xi Gao
The understanding of complex fluidization hydrodynamics and chemical reactions in biomass fast pyrolysis fluidized bed reactors is lacking and requires further investigation. It is urgent to develop accurate mathematical models capable of describing the complex multiphase reaction system of biomass pyrolysis. A comprehensive multiscale model based on coarse-grained discrete element method (DEM)-computational
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Propane dehydrogenation on Ir single‐atom catalyst modified by atomically dispersed Sn promoters in silicalite‐1 zeolite AlChE J. (IF 3.7) Pub Date : 2024-03-12 Ying Zhang, Shaolin Shi, Ziyue Wang, Huanshi Lan, Liyang Liu, Qingdi Sun, Guanghui Guo, Xiaohui He, Hongbing Ji
Propylene serves as a crucial feedstock for a wide range of industries engaged in the production of diverse petrochemical products. Propane dehydrogenation, an appealing technology aimed at supplanting conventional methodologies, confronts significant hurdles attributable to coke deposition and sintering in Pt‐based catalysts. Here, we report an Ir single atom encapsulated in silicalite‐1 zeolite modified
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Production of jet fuel cycloalkanes from 5‐(hydroxymethyl)furfural via cascade catalysis on Mg(Al)(Zr)O supported CuCo AlChE J. (IF 3.7) Pub Date : 2024-03-12 Yanru Zhu, Zhen Zhang, Yunfei Zou, Jian Zhang, Zhe An, Xin Shu, Hongyan Song, Jing He
Catalytic conversion of biomass‐derived 5‐(hydroxymethyl)furfural (5‐HMF) into carbon‐increased hydrocarbons as drop‐in energy‐rich biofuels has received a great deal of concern for the development of sustainable chemical industry. Here, we demonstrate a one‐pot conversion of 5‐HMF into C9‐alkanes on one single catalyst, acidic–basic layered double oxides (Mg(Al)(Zr)O) supported CuCo alloy. The well‐defined
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Kinetics and mechanistic insights into selective hydrogenation of furfural to furfuryl alcohol over Ni–Ga intermetallics AlChE J. (IF 3.7) Pub Date : 2024-03-12 Weixiao Sun, Xiaohu Ge, Wei Du, Jianrong Zeng, Jianbo Ma, Wenyao Chen, Gang Qian, Yueqiang Cao, Xuezhi Duan, Xinggui Zhou, Jing Zhang
Furfural was mainly used to produce furfuryl alcohol, which is a monomer of furan resins with a global market of ~$0.3 billion/year. Industrial production of furfuryl alcohol is via selective hydrogenation over toxic copper chromate under harsh conditions. Therefore, the search for active and non‐toxic alternatives is highly desired. Here, kinetics studies revealed an inhibitive effect caused by strong
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Interfacial relaxation of droplets caused by mass transfer in a pulsed column AlChE J. (IF 3.7) Pub Date : 2024-03-12 Bo Wang, Han Zhou, Qiang Zheng, Shan Jing, Wenjie Lan, Shaowei Li
The method developed in our previous work (Wang et al., AIChE J. 2020; 66(8): e16257), was used to study the influence of the mass‐transfer direction and flux on the dynamic interfacial tension (DIFT) in a pulsed column. The breakup frequency was the highest near the entrance of the dispersed droplet, corresponding to the lowest interfacial tension and highest mass transfer flux. The decrease in the
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Engineered biodegradable nanopesticides for efficient leaf deposition and plant fungicides AlChE J. (IF 3.7) Pub Date : 2024-03-11 Xiaojing Tong, Jie Tang, Jia Wang, Yue Wu, Zhiyuan Zheng, Chen Yuan, A. Basak Kayitmazer, Ayyaz Ahmad, Naveed Ramzan, Jintao Yang, Qingchun Huang, Yisheng Xu
Pesticides are indispensable in agricultural development, but their effectiveness is often hindered by natural factors like rain‐off and degradation. Herein, tebuconazole nanopesticides (TEB NPs) with leaf‐adhesive, water‐stable, and small‐sized were successfully prepared by flash nanoprecipitation using the biodegradable polyethylene glycol‐b‐poly (lactic‐co‐glycolic acid) as a carrier. The nanopesticides
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Novel drag and Nusselt number models based on direct numerical simulations of a bidisperse gas–solid system AlChE J. (IF 3.7) Pub Date : 2024-03-11 Dong Wang, Shuai Wang, Tai Jin, Kun Luo, Jianren Fan
Flow and heat transfer in a bidisperse gas–solid system with freely moving spheres are simulated by particle-resolved direct numerical simulation (PR-DNS). Gas–solid coupling is enforced by the direct-forcing immersed boundary method. Compard with the DNS database, it is found that the existing polydisperse drag correction model developed from static systems combined with various monodisperse drag
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Optimizing particle morphology: Atomic iron–nitrogen centers with graphitic‐N for highly efficient CO2 electroreduction AlChE J. (IF 3.7) Pub Date : 2024-03-11 Yan Li, Libin Zeng, Zilin Zhao, Qinghua Zhang, Yang Hou
Transition metal‐coordinated nitrogen sites on carbon catalysts (M‐N‐C) hold potential for CO2 electroreduction (CO2ER), but optimal morphology and active sites are unclear. We introduce a novel approach, developing zeolitic imidazolate framework‐8 (ZIF‐8)‐derived carbon catalysts with Fe‐N and graphitic‐N sites (Fe2‐NC) via molecular confinement and thermal activation. Fine‐tuning ZIF‐8 size and activation
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Coordination‐mediated atomic metal catalysts for cascaded transformation of β‐O‐4 dimeric model compound into quinoline AlChE J. (IF 3.7) Pub Date : 2024-03-11 Xin Zhao, Ruiqi Fang, Fengliang Wang, Yingwei Li
Here, we report the fabrication of atomic‐metal catalysts for the facile cascaded transformation of lignin β‐O‐4 dimeric model compound into quinoline. A series of dual‐metal single‐atom (SA) moieties (MaC4 and Mb2N6, where Ma and Mb represent two different metal SAs, C and N represent carbon and nitrogen atoms, respectively) are integrated on N‐doped carbons with designed compositions and coordination
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High‐performance BCN‐C heterostructured electrocatalyst derived from covalent triazine frameworks for nitrogen reduction AlChE J. (IF 3.7) Pub Date : 2024-03-07 Wenwen Lin, Gaobo Lin, Qinlan Luo, Weiyu Song, Hao Chen, Zihao Zhang, Jing Li, Jie Fu
Designing and synthesizing heterostructure‐based catalysis combining two‐dimensional (2D) materials has attracted enormous attention in materials chemistry, especially for electrocatalysis, due to their tunable electronic properties and structure. In this work, a boron carbon nitride (BCN)‐coupled carbon (BCN‐C) heterostructure with improved electronic performance was synthesized starting from C‐ and
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Introduced gas regulating fast and highly exothermic reactions with in situ gas generation in microreactors AlChE J. (IF 3.7) Pub Date : 2024-03-07 Saier Liu, Minjing Shang, Xiao Xue, Guangxiao Li, Yuanhai Su
The oxidation of cyclohexanol/cyclohexanone with nitric acid as a fast and highly exothermic process was hard to control at low molar ratios of oxidant to organic substrate even in microreactors. Process of runaway gas generation was observed due to the local hot spots, which decreased the selectivity of adipic acid. Additional gas was introduced into microreactors before the reaction, changing the
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Precise molecular sieving using metal‐doped ultramicroporous carbon membranes for H2 separation AlChE J. (IF 3.7) Pub Date : 2024-03-07 Guanran Zhao, Kaixin Wang, Chuning Fang, Yixing Wang, Darui Wang, Zhen Song, Linfeng Lei, Zhi Xu
Blue hydrogen produced from fossil fuels is recognized as a promising large‐scale technology for realizing the hydrogen economy. Membrane‐based separation is emerging as a viable alternative to traditional hydrogen purification technologies. Here, we present a facile strategy for fabricating carbon molecular sieve (CMS) hollow fiber membranes containing uniformly dispersed palladium (Pd) nanoparticles
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Confinement and phase engineering boosting 1T phase MoS2/carbon hybrid for high‐performance capacitive deionization AlChE J. (IF 3.7) Pub Date : 2024-03-07 Yaning Zhang, Shiyuan Fan, Siqi Gong, Huibin Liu, Huiting Xu, Junjie Qi, Honghai Wang, Chunli Li, Wenchao Peng, Jiapeng Liu
Capacitive deionization (CDI) has attracted significant attention as a water treatment technology owing to its low cost, high efficiency, and eco‐friendliness. However, the unsatisfactory desalination performance of traditional electrode materials hinders the development of CDI. Herein, 1T‐MoS2/C hybrid microspheres are successfully fabricated through confinement and phase engineering strategies. The
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Modeling enzymatic and electrochemical cascade reactions at the three‐phase interface enzyme electrode AlChE J. (IF 3.7) Pub Date : 2024-03-07 Siyu Zou, Jie Xiao, Xinjian Feng
The enzyme electrode based on enzymatic and electrochemical cascade reactions is a golden approach for detecting various biomarkers. How the interfacial architectures of a promising three‐phase interface enzyme electrode can influence the cascade reactions and electrode performance, however, remains unclear. In this study, a mathematical model has been developed to describe intraphase and interphase
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Enhanced CO2/N2 separation in hybrid composite membrane via dispersion of hollow defect‐engineered Zr‐MOF nanoparticles AlChE J. (IF 3.7) Pub Date : 2024-03-04 Jiahui Yan, Yanwei Sun, Taotao Ji, Mingming Wu, Shengyan Meng, Wenwen Dong, Yi Liu, Kunpeng Yu, Wenjing Hu, Bingbing Sun, Peng Lu, Yanshuo Li, Haoquan Hu, Yi Liu
High‐performance and durable membranes are being sought to enable energy‐efficient CO2 capture. Although representing an appealing candidate for the above application, successful translation of distinct properties of MOF filler into hybrid composite membranes (HCMs) remains challenging. In this study, we synthesized uniform hollow defect‐engineered UiO‐66 nanoparticles as filler for enhancing the CO2/N2
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Deep eutectic solvent-assisted selective extraction of valuable metals from waste lithium-ion batteries AlChE J. (IF 3.7) Pub Date : 2024-03-04 Biaohua Chen, Yu Guo, Xinhe Zhang, Gangqiang Yu
A novel synergistic extractant consisting of a deep eutectic solvent (DES) and tri-n-butyl phosphate (TBP) is proposed for selective extraction of valuable metals from waste lithium-ion batteries (LIBs). The extraction efficiencies of Ni2+, Co2+, and Mn2+ were 99.8%, 99.1%, and 95.9%, respectively, and high-purity Li+ was enriched in the raffinate after the single-stage extraction. Valuable metal salts
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T–x diagrams for the CO2–H2O system: The importance of water content in CO2 transportation for carbon capture and storage AlChE J. (IF 3.7) Pub Date : 2024-03-04 Lindsey A. Wadsworth, Jonathan D. Wells, E. Dendy Sloan, Carolyn A. Koh
When water is present in a CO2 pipeline, corrosion or plugging can occur due to the formation of liquid water or gas hydrate, respectively. Understanding how corrosion and hydrate plugging can be avoided is important for enhanced oil recovery and carbon dioxide capture and storage processes. If the CO2 is sufficiently dried prior to transportation, the formation of these problematic free‐water phases
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Insights of rising bubble dynamics of air‐blown biomass gasification in bubbling fluidized bed gasifier AlChE J. (IF 3.7) Pub Date : 2024-03-04 Haoran Sun, Shiliang Yang, Guirong Bao, Hua Wang
Understanding the complex dynamics and spatial distribution of rising bubbles in fluidized bed gasifiers is crucial for designing, optimizing, and scaling up of the reactor. However, existing studies on bubble dynamics mainly focused on cold flow investigations, failing to capture the behavior of bubbles under the influence of chemical reactions and intricate coupling of heat transfer. Therefore, a
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Unlocking enhanced selectivity of Pd/Al2O3 in semihydrogenation of alkynes by in situ ligand-reduction strategy AlChE J. (IF 3.7) Pub Date : 2024-03-04 Mingxuan Wang, Yi Chen, Xu Liu, Zijiang Zhao, Linhan Ren, Songtao Huang, Guanglu Dong, Molin Xia, Xiaonian Li, Zhongzhe Wei, Jianguo Wang
The partial hydrogenation of alkynes into alkenes constitutes a pivotal chemical transformation in the synthesis of fine chemicals, pharmaceuticals, and polymers. Nevertheless, the extant industrial catalyst falls short of achieving a felicitous equilibrium between its catalytic potency and selectivity. Herein, triphenylphosphine (PPh3) modified Pd/Al2O3 catalysts are fabricated through a “one-pot”