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Center-to-face momentum interpolation and face-to-center flux reconstruction in Euler-Euler simulation of gas-solid flows Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-19 Yige Liu, Bidan Zhao, Ji Xu, Junwu Wang
In order to resolve the pressure checkerboard field problem with collocated grid, it is essential to employ the momentum interpolation method when formulating the pressure equation, and the flux reconstruction method when updating the cell-centered velocity fields. In this study, we first derive a momentum interpolation method for Euler-Euler simulation of gas-solid flows, which is independent of the
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A novel asymmetric superwetting filter prepared by easily mass-produced strategy for high-efficient and switchable water/oil filtration Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-19 Jintao Wang, Hongfei Wang
All-purpose materials with on-demand oil/water separation property have received broad attention recently. Herein, a filter paper (FP)-based filter with asymmetric wettability was designed and fabricated via simple combination of liquid phase reduction route with symmetry adhesion method. The fabricated filter exhibits underoil superhydrophobic (UOSHP) and underwater superoleophobic (UWSOP) property
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Enhancing the performance of catalysts in turbulent premixed fuel-lean hydrogen/air combustion Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-17 Md Nur Alam Mondal, Nader Karimi, S. David Jackson, Manosh C. Paul
Catalytic-aided combustion is a proven technique for burning highly lean and ultra-lean mixtures of hydrogen and air. However, the noble catalyst required for combustion is naturally scarce and therefore expensive. In this study, we focus on a numerical investigation to determine the best way of coating a platinum catalyst inside a catalytic hydrogen reactor. We study various planar and non-planar
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Direct contact TSA cycle based on a hydrophobic MOF sorbent for post-combustion CO2 capture from wet flue gas Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-17 Shing Bo Peh, Daohui Zhao, Jianwen Jiang, Shamsuzzaman Farooq, Dan Zhao
We report a simulation-based investigative study of a single-stage, 4-step temperature swing adsorption (TSA) process adopting direct steam heating and direct air (nitrogen) cooling using a hydrophobic MOF physisorbent CALF-20 for post-combustion CO2 capture (PCC) from wet flue gas. This is a significant departure from our previous TSA-based PCC studies (Peh et al., 2022, 2023), where indirect heating
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Study on salt crystals fouling on the tubing surface for energy storage salt cavern during debrining Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-17 Dongzhou Xie, Tingting Jiang, Youqiang Liao, Gaofeng Ren, Tao He, Jianhua Ben, Jingcui Li, Congrui Zhang, Yuting He
Salt crystals fouling may lead to the blockage of debrining inner tubing(DIT) for underground gas storage(UGS) salt cavern. In this paper, the components of salt crystals are analyzed, and a model for calculating the salt crystals fouling is established, which considers the coupling effects of flow-thermal-chemical. This model is verified by comparing monitoring data of an actual salt cavern debrining
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Separation and extraction of NH4Br and (K,NH4)2SO4 from 1-Bromooctane production wastewater by crystallization method Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-17 Shuwen Yang, Yun Li, Hongfei Guo, Xiuwu Liu, Jianbin Zhang, Jilin Cao
This work provides a method for the separation and extraction of bromine salts from bromine-containing wastewater by crystallization. Wastewater from the production of 1-Bromooctane is rich in potassium and bromine salts. This will allow for the recycling of chemical resources in this aqueous salt system. Based on the need for the process design of the new method, the solubility phase equilibrium of
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Atomistic investigation of porous amorphous materials for CH4/H2 separation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-16 Abolfazl Baloochiyan, Hande Öztürk, Ilknur Erucar
Revealing the gas separation capabilities of amorphous porous materials remains a critical challenge in the materials community for their development as novel adsorbents. This work aims to unlock the potential of amorphous materials for adsorption-based CH4/H2 separation at pressure swing adsorption (PSA) condition using grand canonical Monte Carlo (GCMC) simulations. Several adsorbent performance
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Numerical simulation of hydrate flow in gas-dominated undulating pipes considering nucleation and deposition behaviors Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-16 Jihao Pei, Jiayi Shen, Zhiyuan Wang, Qingwen Kong, Zeqin Li, Jianbo Zhang, Xiuan Sui, Jie Zhong
The distribution and deposition of hydrates in deep-water gas transportation pipelines are crucial for safety. Current simulations of hydrate flow based on the population balance model have predominantly focused on water-dominant systems and neglect the nucleation and deposition of hydrates. By establishing a model for a hydrate flow in a gas-dominant system that considers the uneven distribution of
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Ketone-based conjugated microporous poly(aniline)s for the ultradeep separation of heavy metal ions Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-15 Xiaoyu Lou, Duanlian Tang, Xuanjie Chen, Lanbin Mo, Yong Li, Changshen Ye, Jie Chen, Ting Qiu
The heavy-metal contamination of aquatic environments presents imminent threat. Herein, we report a class of dual-heteroatomic conjugated microporous poly(aniline)s showing high-affinity separation performance toward heavy metals. The prepared keto-CMPA shows monolayer adsorption capacity for Hg (II) as high as 980 mg g−1 according to the Langmuir model, and ultra-rapid kinetic with h reaching 30.41 mg
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Bridging uncertainty gaps with artificial intelligence-assisted syngas precise prediction in coal gasification Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-14 Ying-jie Zhao, Jian-cheng Wang, Qun Yi
Coupling of green hydrogen with the coal chemical industry is pivotal for clean coal utilization and low-carbon transition. This study aims to predict syngas composition efficiently using artificial intelligence-assisted machine learning models, particularly the BP-MLPNN model, addressing raw material diversity and process uncertainties. BP-MLPNN model demonstrates superior reliability and robustness
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Efficient prediction framework for large-scale nonlinear petrochemical process based on feature selection and temporal-attention LSTM: Applied to fluid catalytic cracking Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-14 Jian Long, Long Ye, Haifei Peng, Zhou Tian
Data-driven modeling plays a vital role in petrochemical industry, especially fluid catalytic cracking (FCC). However, the long operational cycles, large-scale measurements, multivariate data, and intricate temporal correlations in FCC units may lead to the problem of low prediction accuracy when only use a single time series data-driven modeling neural network such as long short-term memory (LSTM)
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A hybrid algorithm framework for heat exchanger networks synthesis considering the optimal locations of multiple utilities Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-14 Lu Yang, Zekun Yang, Naeem Akram, Chenglin Chang, Wenlong Mo, Weifeng Shen, Nan Zhang, Robin Smith
This work focuses on heat exchanger networks (HENs) synthesis (HENS) considering the optimal locations of multiple utilities. Based on an extended stage-wise superstructure where available heaters and coolers are placed at all stages, HENS is modeled as a computationally-hard mixed integer nonlinear programming (MINLP) problem. To obtain high-quality solutions, we propose a new hybrid algorithm framework
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Regulating the N-functional hydrogen bond donors over magnetic nanoparticles supported imidazole tribromide zinc ionic liquid for CO2 cycloaddition Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-14 Jing Chen, Qin Wu, Daxin Shi, Kangcheng Chen, Yaoyuan Zhang, Helei Liu, Hui Li, Xiyan Xu, Hansheng Li
The design of catalysts for the mile production of cyclic carbonates by CO2 cycloaddition is of value. Magnetic polymer nanoparticles-supported imidazole tribromide zinc ionic liquid catalysts, incorporating N-functional hydrogen bond donors (HBD), was successfully accomplished. The correlation between the N-functional HBD and catalytic activity was thoroughly investigated through experimental studies
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Decoding the zeolite cage effect in one-step ethylene purification from CO2/C2H2/C2H4 mixtures Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-14 Hongwei Chen, Xiangqiong Jiang, Binyu Wang, Yongheng Ren, Bin Zhang, Jiabao Gui, Xili Cui, Linbing Sun, Jiuxing Jiang, Wenfu Yan, Jinping Li, Libo Li
Utilizing physical adsorption for ethylene purification from complex mixtures can significantly reduce the energy cost for production. The purification of multi-component systems through a single adsorption process presents a considerable challenge, largely stemming from the absence of customized strategies and thorough investigations into adsorption behaviours. We aim to understand adsorbents through
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Heterogeneous toluene nitration with mixed acid in microreactors: Reaction regime, characteristics and kinetic models Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-13 Rao Chen, Chaoqun Yao, Shuainan Zhao, Xuan Liu, Yingjiang Lian, Guangwen Chen
It is critical for reactor design and process safety to determine the reaction kinetics for toluene nitration. Herein, a continuous-flow platform based on capillary microreactors was established. First, reaction regimes for toluene nitration and its consecutive side reaction (MNT (mononitrotoluene) nitration) were identified. On this basis, the influence of process parameters on conversion of toluene
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Investigation of multi-inlet arrangement effect on mesoscale bubble dynamics in the gas–liquid-solid reactor via VOF-DEM Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-13 Hongshi Yu, Shiliang Yang, Hua Wang
Multi-channel gas–liquid-solid systems have attracted considerable attention across chemical, energy, and biochemical industries due to their potential applications, yet the intricate interplay between different scales of interphase interactions remains complex. This study employs the volume of fluid method coupled with the discrete element method (VOF-DEM) to investigate the multi-scale flow hydrodynamics
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Analytical prediction of the formation factor for anisotropic mono-sized unconsolidated porous media Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-12 Y.H. Nkocko Awountsa, G.P.J. Diedericks, G.J.F. Smit, S. Woudberg
The rectangular Representative Unit Cell (RUC) models for mono-sized isotropic unconsolidated porous media have been extended to anisotropic media. Volume averaging was applied to Ohm's law in order to propose analytical expressions for the formation factor for electrical conduction in terms of the pore-scale linear dimensions. The formation factor, crucial for understanding electrical conduction in
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Modulating low-temperature interfacial polymerization with NaHCO3 for high-performance ultrathin nanofiltration membranes Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-12 Rui Han, Rui Jia, Zhen-Liang Xu, Jia-Yue Dai, Yi-Hao Tong, Hua-Xiang Li, Sun-Jie Xu
Conventional interfacial polymerization (IP) encounters significant challenges in achieving the desired nanofiltration (NF) membrane structure, owing to uncontrolled diffusion and ultrafast polymerization. Our study introduced carbonates into the low-temperature interfacial polymerization (LTIP) process to precisely regulate the diffusion of amine monomers and polymerization kinetics. Carbonates in
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Insight into the adsorption mechanism of arsenic and selenium by different mineral adsorbents Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-11 Shihao Guo, Mengyao Gu, Xiaoping Zhao, Juan Chen, Hong Yao
The adsorption characteristics of arsenic and selenium by CaO, CaCO3, MgO and Fe2O3 at different temperatures and the influence of steam are investigated using simulated flue gas by a vertical furnace. Experiments show that the adsorption capacity of CaCO3 for arsenic and selenium reached the maximum at 900 °C. Steam addition exerts a notable inhibitory impact on the adsorptive efficacy of CaO, MgO
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Comparison of continuous technologies for vegetable oils epoxidation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-11 T. Cogliano, V. Russo, K. Eränen, R. Tesser, M. Di Serio, T. Salmi
Epoxidized Vegetable Oils (EVOs) are an important class of chemical compounds obtained from biomass and used as intermediates to produce several bio-products and chemicals, such as hydroxy-alkoxy compounds, diols, amines, and carbonates. Epoxides originating from vegetable oils and their derivatives, namely fatty acids or alkyl esters, are still produced by semibatch technology which suffers from severe
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Numerical and experimental investigation of the effect of interstitial liquid viscosity on the collapse of wet granular columns Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-11 Shuai Zhang, Jiayu Xu, Abul Hassan Syed, Leina Hua, Chuan-Yu Wu, Guoping Lian, Wei Ge
The collapse of wet granular columns with high- and low-viscosity interstitial liquid is investigated through experiments and numerical simulations. By incorporating both capillary and viscous force models of interstitial liquid in the Discrete Element Method (DEM), simulations have been conducted and reproduced consistent collapse processes with the experiment. The influence of water content, contact
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Identification and characterization of particle clusters in fluidized beds via image processing technique: Method development and assessment Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Nani Jin, Ji Xu, Xinhua Liu, Shanwei Hu, Li Guo
Clusters have a significant impact on gas–solid hydrodynamics, thus have garnered sustained research efforts for several decades. Recently, the image processing technology has been popularly used in characterizing clusters due to its non-invasive nature and high spatiotemporal resolution. This study introduced an innovative method for cluster identification by utilizing non-local means filtering and
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Heterogeneous electro-Fenton oxidation of Congo red using carboxylic group activated carbon felt cathode: Electrokinetic mechanism and performance Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Redae Nuguse Berhe, Monu Verma, Cong Li, Shimelis Kebede Kassahun, Joon Wun Kang, Hyunook Kim
In this study, the carboxyl functional group (–COOH) saturated-carbon-felt (ACF) as functional cathode was prepared and used in heterogenous (Fe2+) electro-Fenton (EF) catalytic degradation of Congo red (CR) in waster. As a heterogeneous catalyst, size-controlled magnetite (Fe3O4) nanoparticles (MNPs) were applied to the surface of the ACF cathode. The selectivity of ACF toward the two-electron oxygen-reduction
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Structural optimization of the NiFe2O4 spinel catalyst aimed at efficient electrocatalytic C-O bond cleavage of lignin Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Xueying Chen, Yi Qi, Bowen Liu, Xueqing Qiu, Xuliang Lin, Yanlin Qin
The intricate structure of lignin poses significant challenges to its high-value utilization. Electrocatalytic conversion of lignin into valuable aromatic compounds using spinel catalysts under mild conditions is a promising approach. The electrochemical conversion of lignin and its model compounds was conducted using Ni-Fe spinel catalysts, achieving selective cleavage of the C-O bond in lignin model
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Nitrate and phosphate removal by capacitive deionization using nanocellulose/polypyrrole electrodes Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Olga Pastushok, Anna Iurchenkova, Fatemeh Keshavarz, Bernardo Barbiellini, Eveliina Repo, Ekaterina Laakso
Capacitive deionization (CDI) is a desalination technology that shows promise for removing nitrate and phosphate ions. The main components of CDI cells are electrodes, which are typically made from activated carbon (AC). However, the electrosorption performance of AC electrodes is limited because of the negative zeta potential, hydrophobicity, and oxidation resulting in co–ions’ repulsion. This study
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The effect of subcooling on hydrate generation and solid deposition with two-phase flow of pure water and natural gases Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Linhe Wang, Jiguang Wang, Yan Li, Zihong Liu, Yi Zhang, Haiyuan Yao, Yu Liu, Yongchen Song, Lunxiang Zhang
Deepwater oil and gas transportation systems play a crucial role in energy supply, but also face the challenges of hydrate generation and blockage. The study observed hydrate generation and deposition at different subcooling degrees and flow rates by using a high-pressure fully visualized recirculation pipeline. It was found that the subcooling degree has a nonlinear positive correlation with the total
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Expert label for explainable fault diagnosis and for unknown fault generalization Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-10 Silin Rao, Lunrui Fan, Jingtao Wang
This study proposes the expert label that incorporates specific process knowledge into sample labels to enhance the explainability of diagnostic results. Traditional sample label is a one-hot encoding vector without inherent physical meaning, limiting the diagnostic scope to predefined fault types without explainability. In contrast, expert label as multi-label provides multi-dimensional information
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A rigorous model for hydrogen response in industrial propylene polymerization loop reactors: From micro-mechanism to macro-behavior Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Xixiang Zhang, Jingyi Lu, Shenjie Li, Zhou Tian, Wenli Du, Feng Qian
In spite of playing a chain transfer agent role, the hydrogen activation effect in propylene polymerization with Ti-based Ziegler-Natta catalysts, so called “hydrogen response”, is usually explained by the dormant-site theory in polymer chemistry. However, how the micro-mechanism at the catalyst site scale affects the macro-behavior of industrial processes is unrevealed. This work aims at developing
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PEG-assisted synthesis of highly dispersed Cs/Zr-SiO2 catalyst for aldol condensation of methyl acetate with formaldehyde Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Qi Li, Senlin Deng, Junyang Liu, Tingting Yan, Jinguo Hao, Gang Wang, Guoliang Zhang, Jie Li, Chunshan Li
The dispersion of active sites plays an imperative role in the promotion of catalytic performance on methyl acrylate synthesis direct vaporous aldol condensation. Herein, a novel PEG-assisted impregnation method was proposed to synthesize Cs/Zr-SiO catalyst with high dispersion of acid and base sites. A series of characterization techniques including NMR, TEM, physical N adsorption isotherms, XRD,
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Fully-Exposed Pt Cluster@Zeolite catalysts for efficient n-Hexane aromatization Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Jingnan Wang, Qiang Liu, Ke Li, Yongbin Yao, Jianjian Yang, Xiangnong Ding, Shian Chen, Xi Wang
The exploration of Pt cluster catalysts with minimal or fully exposed Pt atoms for specific reactions is meaningful but challenging, aiming to maximize Pt atomic utilization. To answer the above question, we design 4Pt cluster catalysts within a KL zeolite (Pt@KL, n represents Pt atom numbers) for an n-hexane aromatization (n-HAM) reaction. Pt species in Pt@KL are identified as Pt, and Pt, Pt, and
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Bifunctional Ni2P/SAPO-11 catalyst for simultaneous hydroisomerization of 1-hexene and hydrodesulfurization of thiophene Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Guan Huang, Zhichao Sun, Ying-Ya Liu, Zhiquan Yu, Yao Wang, Jiaxu Liu, Anjie Wang, Yongkang Hu
A bifunctional NiP/SAPO-11 catalyst for the upgrading of fluidized catalytic cracking (FCC) gasoline was constructed to achieve the simultaneous removal of sulfur and prevention of octane number loss. In the preparation of NiP/SAPO-11, a modification with an ammonia post-treatment led to improved dispersion and high catalytic performance. Adsorption and kinetic study demonstrated that thiophene preferentially
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Insights into the coupling of H2S adsorption and subsequent C4H4S hydrogenation over Ni–Mo composite adsorbents Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Yeshuang Wang, Zhelin Su, Mingxian Duan, Huiling Fan, Ju Shangguan, Chao Yang
Metal oxides-based adsorbents used for desulfurization encounter significant challenges during practical application owing to their inferior reusability and the nature of solid waste of their desulfurization products. This situation might be alleviated to some extent through a rational design of Ni–Mo composite, enabling them firstly to be used as adsorbents for HS removal, and then being utilized
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Continuous micro feeding and mixing of solid dosage forms under vibrational excitation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Haifeng Lu, Liang Zhang, Hui Du, Xiaolei Guo, Haifeng Liu
Continuous manufacturing has intrigued many researchers in the pharmaceutical industry in the post-COVID-19 world. We experimentally studied the discharge characteristics of pharmaceutical excipients under vibrational excitation. The successful accurate dosing and filling of powders at fill rates of 0.6–15 mg/s was developed. A simple particle model includes fluid-grain coupling which is relevant to
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Zeolite-carbon composite synthesis and its adsorption property Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-07 Shan Gao, Tailin Guo, Xinwei Liu, Qiming Ren, Jiancheng Wang
In this study, SUZ-4 zeolite-carbon composites were synthesized by a one-step hydrothermal method with solid waste, silica fume (SF), aluminum ash (AA), and chitosan (CS) as raw materials. The composites were analyzed by XRD, SEM, FTIR and BET characterizations. The adsorption capacities of the composites for lead ions (Pb) and methyl orange (MO) from aqueous solutions were investigated. Based on the
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Underwater antiadhesion hydrogel coatings with spontaneous segment orientation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-06 Xiubin Xu, Jianwei Liu, Jiahao Weng, Wu Wen, Danfeng Yu, Jinxiong Wen, Xu Wu
Achieving strong underwater bonding between hydrogels and diverse substrates to endow the surfaces with antifouling properties in a facile and universal approach is critically challenging. The existing methods rely on complex chemical pretreatment of substrates, which limits their practical application. To address this issue, a facile spontaneous segment orientation strategy is proposed by presenting
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Experimental study and numerical simulation of aqueous mineral carbonation of Ca(OH)2 in a bubble column Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-06 Fangfang Zhang, Weiling Li, Wenqi Zhong, Jiaming Shen, Shidong Wu, Yafei Guo, Jian Sun, Ruilin Wang, Chuanwen Zhao
The aqueous mineral carbonation of Ca(OH) in a bubble column has been studied by employing the experimental and numerical approaches. The effect of the gas velocity (0.02 m/s – 0.205 m/s) on the bubbly reactive flow has been investigated. The average gas holdup, local gas holdup, flow images, pH and electrical conductivity and the carbonation efficiencies are obtained by experiments. Eulerian-Eulerian-Eulerian
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Experimental and numerical study of wall phenomena of confined bubble flow in a square channel Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-06 Ilia A. Evdokimenko, Walid Blel, Caroline Gentric, Ivan S. Vozhakov, Maksim V. Alekseev, Andrey A. Lukyanov, Jack Legrand, Emmanuel Dechandol, Charlène Thobie, El-Khider Si-Ahmed, Pavel D. Lobanov
Confined bubbly flow, including bubbles of 4.2 and 6.7 mm equivalent diameters rising in a 4 mm square channel, was experimentally and numerically investigated for liquid Reynolds numbers of 0 and 28. Wall shear stress measurements, by means of polarographic method, were used to investigate wall phenomena while the film thickness was estimated using a conductimetric technique. The OpenFOAM package
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The study of parameter diagram for stable drop-on-demand droplet formation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-06 Qingyang Zhang, Xiaodong Wu, Zhiming Lu
This study investigates the impact of liquid physical parameters and inlet pressure-driven waveforms on droplet velocities and ligament lengths in drop-on-demand droplet formation. The study employs an incompressible two-phase flow model and the volume of fluid (VOF) method to track the liquid-gas interface. Numerical results reveal that increases in ink density and viscosity are associated with decreased
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Pressure drop prediction in the compressible powder bed of pulverized coal during gas pressurization Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Shicheng Wang, Xiaolei Guo, Guang Qin, Yunfei Yang, Haifeng Lu, Haifeng Liu
The reliable discharge of pulverized coal from the high-pressure lock hopper is crucial for the dry feeding process in entrained-flow gasification. However, challenges persist due to the unclear gas–solid interaction and the difficulty in predicting the relative packing density (RPD). A comparative analysis of RPD characteristics of pulverized coal at various pressurization rates was conducted using
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Phosphorylated litchi shell-derived biochar for removal U(VI) from mining wastewater Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Zheng Xia, Cheng-Rong Zhang, Xiao-Juan Chen, Yuan-Jun Cai, Shun-Mo Yi, Ru-Ping Liang, Jian-Ding Qiu
It is of great significance to develop low-cost and green biochar as uranium adsorption material. Herein, porous pristine biochar (LZ-C) with a high degree of carbonization synthesized by pyrolysis of litchi shells was introduced phosphate groups as key adsorption sites to obtain phosphate- modified biochar (LZ-P) for removal U(VI) from mining wastewater. The porous structure of the modified litchi
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Development and application of vegetable oil-based polyurethane coated fertilizers Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Jianwei Tang, Zhe Zhang, Tianze Ge, Jinglong Huang, Yang Wang, Min Shi, Yong Liu, Baoming Wang, Pengfei Liu
Currently, it is increasingly observed that the environment is being severely polluted due to the low fertilizer utilization rate and the volatilization of nitrogen (N) elements. In this study, industrial grade castor oil (CO) was used as a raw material to prepare film-coated urea with excellent slow release and control loss performance which can not only effectively alleviate the pollution caused
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Screening and preparation of functionalized TpBD-COFs for CO2 capture Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Qinghua Qu, Yuqiao Jiang, Linyan Cheng, Qingyuan Xue, Ranran Li, Cheng Fang, Hongping Li, Jing Ding, Hui Wan, Guofeng Guan
Covalent organic frameworks (COFs) with high specific surface area, ordered pore wall, modified porous surface and customizable chemical structure have been widely used in CO capture. However, the screening of functionalized COFs suitable for CO capture still relies on experiments, which will require a long experimental period with blindness and randomness. Herein, we chosed three electron withdrawing
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Formation characteristics of CaSO4·2H2O passivation layer during rhodochrosite leaching by sulfuric acid: Mineralogy and molecule simulation perspectives Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Xiangfei Zeng, Yunhui Han, Ling Hu, Jiancheng Shu, Fan Lin, XingYu Luo, Xingyin Fan, Rong Wang, Mengjun Chen
Rhodochrosite leaching is primarily hindered by passivation layers that grow on its surface during the leaching, the formation mechanisms of which were discussed deeply by process mineralogy and density functional theory (DFT). Rhodochrosite coexists with dolomite and clay, making sulfuric acid difficult reacting with MnCO. Mn dissolution diffusion is accompanied by the formation of CaSO·2HO. During
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Ceramic catalytic membrane with low metal ion leaching for bisphenol A removal via peroxymonosulfate activation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-05 Songxue Wang, Jingjing Xia, Yuxin Zha, Jinfeng Zhu, Yiding Wang, Rui Huang, Sujie Shan, Boyin Yan, Bingrui Ma, Wenxiang Xia, Jiayu Tian
In this work, Co-Mn coated ceramic catalytic membrane (M) was successfully fabricated by applying a facile process of impregnation and calcination. The optimized M exhibited outstanding catalytic activity of peroxymonosulfate (PMS) for bisphenol A (BPA) removal (above 95 %) and demonstrated low metal ions leaching (below 20 μg/L) under various operational conditions. Results from chemical quenching
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Numerical simulation of gasifier optimization for combined hydrogen production and carbon reduction in a chemical looping gasification (CLG) system Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-03 Junjie Lin, Kun Luo, Shuai Wang, Jianren Fan
Chemical looping gasification (CLG) for combined hydrogen production and carbon capture represents a significant pathway for the clean, low-carbon utilization of traditional fossil fuels. Currently, a significant knowledge gap remains concerning the interplay between reactor configuration optimization and the complex gas–solid interactions in the CLG systems. This study integrates reactive computational
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Insights into the effect of Fe-Zn interaction on tunable reactivity in Fischer–Tropsch synthesis Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-03 Chongyang Wei, Xiaoxue Han, Shouying Huang, Haoting Liang, Yidan Wang, Ting Li, Yong Wang, Yue Wang, Xinbin Ma
In the Fischer–Tropsch synthesis (FTS) reaction, the intricate reaction conditions are prone to induce phase transitions in iron carbides, which markedly affect catalytic performance. Manipulating and stabilizing the active phase is paramount for ensuring the catalyst efficiency. In this study, we regulated the Fe-Zn interaction to investigate the influence of iron carbides and the characteristics
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Experimental evaluation of novel gas liquid contactor packing based on triply periodic minimal surfaces (TPMS) Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-03 Gregory Homem Alves César Ribeiro, David Rouzineau, Michel Meyer
Additive manufacturing has widened the possibilities of design for gas–liquid packing geometries in recent years, allowing for new unexplored shapes. A novel design approach based on triply periodic minimal surfaces (TPMS), an interesting class of smoothened curved surfaces, led to the conception of new periodic structures with complex geometrical features. The present study aims to assess the applicability
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Fick and Maxwell-Stefan diffusion of the liquid mixture cyclohexane + toluene + acetone + methanol and its subsystems Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-03 Yuqi Su, Denis Saric, Gabriela Guevara-Carrion, Ying Zhang, Maogang He, Jadran Vrabec
Transport diffusion of the quaternary mixture cyclohexane + toluene + acetone + methanol and most of its binary and ternary subsystems at ambient conditions of temperature and pressure is studied by molecular dynamics simulation. Liquid-liquid phase separation of cyclohexane + methanol extends into the according ternary and quaternary mixtures, rendering them highly non-ideal. Maxwell-Stefan diffusion
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Probing the interaction mechanisms of lipid nanoparticle-encapsulated mRNA with surfaces of diverse functional groups: Implication for mRNA transport Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-02 Jingyi Wang, Jiawen Zhang, Sijia Li, Hui Qian, Dengfeng Liu, Isaias Prado, Sharon Wang, Akhilesh Bhambhani, Hongbo Zeng
The transport of mRNA plays an indispensable role in vaccine drug delivery and emerging therapies. The attachment of lipid nanoparticle encapsulating mRNA (mRNA-LNP) to biological and engineering surfaces is determined by their intermolecular and surface interactions. In this work, the interactions between mRNA-LNP and surfaces with various functional groups were investigated using atomic force microscopy
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Investigation on the multi-scale interactions in gas–liquid jet bubbling reactor Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Gu Weizhong, Jin Yong, Gu Minglan, Wu Liangquan
Due to the unreliability of the mechanical seal of the mechanical stirring reactor in traditional carbonyl synthesis reactions, a gas–liquid jet bubbling reactor has been developed that is a new type of hydraulic stirring. A cold model device was constructed to address the complex flow field characteristics of a gas–liquid jet bubbling reactor, and a gas–liquid phase testing method was established
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Thermal mineralization of Perfluorooctanoic acid (PFOA): The synergistic role of oxygen and water vapor inhibiting products of incomplete destruction (PID) formation Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Nathan H. Weber, John C. Mackie, Hayden Redfern, Edwin Banks, Charles C. Grimison, John A. Lucas, Michael Stockenhuber, Eric M. Kennedy
The thermal decomposition of PFOA was studied in an α-alumina reactor between 400 and 1000 °C under two separate conditions: 1) in a bath gas of air and water vapor (HO) and 2) in a bath gas of helium, nitrous oxide (NO) and HO. PFOA decomposition studies undertaken under these conditions, both experimental and modeling analysis, provided insightful information on the conditions leading to the formation
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Numerical simulations of equilibrium, kinetics, and chain length distribution in linear polycondensation proceeding in nano-scale small volumes: An apparent violation of the law of mass action Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Ryszard Szymanski, Stanislaw Sosnowski
A simple polycondensation process M + M ⇄ M + Z, proceeding in dispersion of nano-scale droplets was described by analytical solutions and differential equations giving insight into equilibrium and kinetics of the process. Stochastic and deterministic simulations show that the statistical nature of polycondensation, both irreversible and reversible one, affects the way the macromolecules of different
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Insight into microscopic mechanism of Pt/Pd-catalyzed pyrolysis of n-dodecane Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Hao Sun, Guice Yao, Haoyun Xing, Jiao Wang, Jin Zhao, Hui Gao, Dongsheng Wen
Catalytic cracking by noble metals is an effective strategy to enhance the cooling capacity of endothermic hydrocarbon fuels (EHFs), but microscopic reaction mechanisms of noble catalysts assisted fuel cracking remain to be elucidated. The reactive molecular dynamics simulation (ReaxFF MD) was employed in this work to investigate the catalytic mechanisms of Pt and Pd in the cracking of a surrogate
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Direct numerical simulation of dispersion and mixing in gas–liquid Dean-Taylor flow with influence of a 90° bend Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Otto Mierka, Raphael Münster, Julia Surkamp, Stefan Turek, Norbert Kockmann
Gas-liquid capillary flow finds widespread applications in reaction engineering, owing to its ability to facilitate precise control and efficient mixing. Incorporating compact and regular design with Coiled Flow Inverter (CFI) enhances process efficiency due to improved mixing as well as heat and mass transfer leading to a narrow residence time distribution. The impact of Dean and Taylor flow phenomena
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Photoresponsive microfluidic three-phase emulsions for tandem reactions Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-09-01 Xue-hui Ge, Xu Li, Li-lin Li, Jie Chen, Yu-lai Zhao
The long-term objective of tandem reaction is to investigate ‘intelligent’ tandem reaction systems akin to living cells. Here we’ve prepared an ‘intelligent’ droplet microreactor for the tandem reaction using droplet microfluidic technology constructing a photoresponsive microfluidic tandem reaction system. The method leverages a three-phase emulsion’s ‘two membranes and three phases’ structure to
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Ice nucleation in supercooled water under shear Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-08-31 Mingbiao Chen, Wenji Song, Wenye Lin, Ziping Feng
Classical nucleation theory (CNT) provides a good framework for understanding the nucleation phenomenon in metastable conditions. However, there is still no satisfactory understanding of the shear effect. Here, we propose an ice nucleation model considering the rebounded deformation energy to analyze the ice nucleation rate. It is concluded that: (1) The effect is more pronounced by changing the contact
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Numerical study of bischofite precursor droplet evaporation and thermal decomposition for spray pyrolysis systems Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-08-31 Hanlu Xu, Daokuan Cheng, Liang Zhao, Hui Dong, Bowei Liu
Understanding the evaporation and decomposition process of bischofite precursor droplets in a pyrolysis furnace is the prerequisite for designing an efficient spray bischofite treatment facility. However, current research lacks guidance on this behavior. Here, it provided a new theoretical basis for understanding evaporation characteristics and decomposition behavior by introducing the Abramzon-Sirignano
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An experimental investigation on role of turbulence modulation induced by thread structure in coaxial air blast atomization of a surfactant-laden jet Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-08-31 Yufan Wang, Yiting Wang, Hui Zhao, Weifeng Li, Haifeng Liu
This study aims to utilize the high-speed flow visualization and droplet size analysis technology to experimentally investigate the effects of surfactant concentration and thread induced turbulence modulation on the coaxial jet atomization characteristics. After adding turbulence modulation, a larger initial amplitude appeared on the jet surface, which is the reason for the reduction in breakup length
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Modelling of the effects of driving signal parameters on the droplet formation dynamics in piezoelectric inkjet Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-08-31 Chao Sui, Wenchao Zhou
Piezoelectric inkjet technology has been widely adopted in various industrial applications due to its versatility and compatibility with a wide range of ink chemistries. The driving signal, pivotal in activating the piezoelectric element to expel droplets, significantly influences droplet formation dynamics. Parameters such as droplet size, velocity, breakup time, and the occurrence of satellite droplets
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Process-driven solvent screening for efficient extractive distillation using interpolative rational functions Chem. Eng. Sci. (IF 4.1) Pub Date : 2024-08-31 Sahil Sethi, Xiang Zhang, Kai Sundmacher
When designing extractive distillation processes, using selectivity and capacity at infinite dilution alone is hard to identify the real optimal solvent with minimal process cost. To overcome this problem, a new process-driven solvent screening approach is developed. As simple and reliable surrogate models, rational functions (algebraic fractions such that the numerator and the denominator are polynomials)