Spaced ‐confined capsule catalysts with tunable micro‐environments for efficient CO2 conversion
AbstractCO2 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 deficient than the Na, which contributes to the formation of long-chain olefins. ZSM-5 with K or Ce modification presents enhanced adsorption ability of alkene, then promoting aromatization and isomerization reactions...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Hao Wu,
Lisheng Guo,
Xianbiao Wang,
Wenjie Zhou,
Fang Chen,
Da Li,
Kai Liu,
Peipei Ai,
Yuxue Wei,
Mengdie Cai,
Song Sun Tags: RESEARCH ARTICLE Source Type: research
Tailoring a MOF ‐based adsorbent with partitioned aliphatic pore spaces for efficient CH4 purification from natural gas
AbstractSeparation 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 CH4, along with remarkably competitive adsorption selectivities for C3H8/CH4 and C2H6/CH4. Breakthrough experiments further support the excellent dynamic separation efficiency of the adsorbent for the purification of CH...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Kang Wang,
Yao Jiang,
Mingming Xu,
Dongdong Zheng,
Shaojun Jia,
Peng Cui Tags: RESEARCH ARTICLE Source Type: research
Ni active sites isolated by antimony toward enhanced propyne semi ‐hydrogenation
AbstractRegulating 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, including x-ray diffraction, atomic-resolution electron microscopy, and x-ray absorption spectroscopy, provide evidence for the formation ofP63/mmc NiSb intermetallic phase in the synthesized NiSb catalyst. Th...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Jiahang Xi,
Kelin Yan,
Ningchao Zhu,
Xiaohu Ge,
Qiang Yuwen,
Mingming Chen,
Hao Jiang,
Yueqiang Cao,
Xinggui Zhou,
Xuezhi Duan Tags: RESEARCH ARTICLE Source Type: research
Physics ‐informed learning of chemical reactor systems using decoupling–coupling training framework
AbstractIt 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 of decoupling pre-training and multiphysics coupling training steps. With decoupling pre-training, the complex physical domain is decomposed into subdomains of fluid flow, heat transfer, and mass transfer combined ...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Zhiyong Wu,
Mingjian Li,
Chang He,
Bingjian Zhang,
Jingzheng Ren,
Haoshui Yu,
Qinglin Chen Tags: RESEARCH ARTICLE Source Type: research
New and facile recovery strategy for silver, copper, and nickel from waste silver contacts using polyiodide ionic liquids
AbstractThis 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 is ideal for practical applications due to its low viscosity (49.6 cP) and gentle (55°C) leaching conditions of polyiodide ILs. Addition ally, the redox leaching mechanism was successfully elucidated by XPS, X...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Xiaolu Yin,
Shuping Wang,
Ronghao Liu,
Xiaoxia Liu,
Peng Liu,
Yanzhao Yang Tags: RESEARCH ARTICLE Source Type: research
Experimental study on the differences between bubble and drop breakages in agitated turbulent flows
AbstractThe 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 (DSD) are analyzed. The breakage frequencies of bubble and drop show the monotonic and non-monotonic variation trends with increasing fluid particle size, respectively. The variations of bubble and drop DSDs exhib...
Source: AIChE Journal - March 18, 2024 Category: Science Authors: Ling Zhang,
Zaifen Huang,
Yuyu Fu,
Runci Song,
Zhengming Yi,
Yefeng Zhou,
Luchang Han Tags: RESEARCH ARTICLE Source Type: research
Data ‐driven plant‐model mismatch quantification in closed‐loop system based on output predictions
AbstractThe 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 of recent works have been focusing on locating the mismatch. To further improve the mathematic model as well as controller performance, in this article, we provide a novel prediction-based plant-model mismatch quantifica...
Source: AIChE Journal - March 14, 2024 Category: Science Authors: Yimiao Shi,
Xiaodong Xu,
Stevan Dubljevic Tags: RESEARCH ARTICLE Source Type: research
Photo ‐regulated synergistic catalysis of acid and basic sites in metal–organic framework
AbstractEnzymes 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 and basic sites can be regulated by light. PRSCs have acidic sites on pore walls and basic sites on pendant azobenzene groups, and photo-regulation is achieved through azobenzene isomerization. In the cascade reaction of ...
Source: AIChE Journal - March 13, 2024 Category: Science Authors: Hui Wen,
Yao Nian,
Peng Tan,
Hang ‐Ou Qi,
Chen Gu,
Tao Yang,
You Han,
Lin‐Bing Sun Tags: RESEARCH ARTICLE Source Type: research
Efficient construction of multi ‐stimuli responsive colloidosomes for intelligent transmembrane transport
AbstractThe 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 transmembrane transport of molecules. The colloidosomes assembled with SiO2/polydopamine/poly (N-isopropyl acrylamide) nanoparticles can be heated from 25 °C to 50°C within 5 min upon NIR exposure. The permeability ...
Source: AIChE Journal - March 13, 2024 Category: Science Authors: Rong ‐Kun Liu,
Jia Jia,
Qian Sun,
Hong Zhao,
Jie‐Xin Wang Tags: RESEARCH ARTICLE Source Type: research
Highly efficient capture of CO2 through the synergy of intramolecular amines within piperazine ‐derived alcoholamines
AbstractAmine-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 stability was achieved by substituting the secondary amino groups in piperazine (PZ) with aminoethyl and hydroxyalkyl moieties. The developed amine absorbent presents superior CO2 absorption/desorption abilities through ...
Source: AIChE Journal - March 13, 2024 Category: Science Authors: Shaojun Jia,
Yao Jiang,
Songtao Zheng,
Yi Li,
Yan Wu,
Xiao ‐Qin Liu,
Peng Cui Tags: RESEARCH ARTICLE Source Type: research
Mesoporous coordinated polymers with single ‐metal‐site iridium for efficient catalysis in propylene hydroformylation
AbstractHeterogeneous 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 here can achieve a turnover number of over 20,000 (being 7.3 times higher than the most effective Ir-base catalyst to date) with 99% selectivity and 56% yield for aldehyde. Besides, it represents the first example wi...
Source: AIChE Journal - March 13, 2024 Category: Science Authors: Chenfei Yao,
Wenjie Xiong,
Haining Sun,
Xin Wang,
Zhibing Zhang,
Xingbang Hu Tags: RESEARCH ARTICLE Source Type: research
Adaptively exploring the feature space of flowsheets
AbstractSimulation 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 space are mandatory. In this article, we present a novel family of utility functions to favor an adaptive, Bayesian exploration of the feature space in order to identify regions that are convergent and fulfill customiz...
Source: AIChE Journal - March 13, 2024 Category: Science Authors: Johannes H öller,
Martin Bubel,
Raoul Heese,
Patrick Otto Ludl,
Patrick Schwartz,
Jan Schwientek,
Norbert Asprion,
Martin Wlotzka,
Michael Bortz Tags: RESEARCH ARTICLE Source Type: research
Coupling coarse ‐grained DEM‐CFD and intraparticle model for biomass fast pyrolysis simulation and experiment validation
AbstractThe 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 fluid dynamics (CFD) was developed in open-source MFiX code. It incorporates detailed biomass pyrolysis kinetics and an intraparticle model. To validate the model, measurements were conducted in a fluidized bed...
Source: AIChE Journal - March 12, 2024 Category: Science Authors: Bing Wang,
Jianjian Dai,
Sijie Li,
Yixi Lin,
Michael Patrascu,
Xi Gao Tags: RESEARCH ARTICLE Source Type: research
Production of jet fuel cycloalkanes from 5 ‐(hydroxymethyl)furfural via cascade catalysis on Mg(Al)(Zr)O supported CuCo
AbstractCatalytic 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 multifunctional catalytic sites with harmonious combination carry out cascade catalysis, affording C9-alkanes (including 30% of more value-added branched-cycloalkanes) in 83% yield. The basic –acidic sites ...
Source: AIChE Journal - March 12, 2024 Category: Science Authors: Yanru Zhu,
Zhen Zhang,
Yunfei Zou,
Jian Zhang,
Zhe An,
Xin Shu,
Hongyan Song,
Jing He Tags: RESEARCH ARTICLE Source Type: research
Propane dehydrogenation on Ir single ‐atom catalyst modified by atomically dispersed Sn promoters in silicalite‐1 zeolite
AbstractPropylene 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 with Sn single atoms as electronic promoters, displaying remarkable activity and stability, which is significantly greater than the previously reported Ir-based catalysts and comparable to the majority of Pt-based...
Source: AIChE Journal - March 12, 2024 Category: Science Authors: Ying Zhang,
Shaolin Shi,
Ziyue Wang,
Huanshi Lan,
Liyang Liu,
Qingdi Sun,
Guanghui Guo,
Xiaohui He,
Hongbing Ji Tags: RESEARCH ARTICLE Source Type: research
