Chemical Engineering Science最新文献

{"title":"Self-assembled Cu/Cu2O with LSPR effect complexed with TCPP for inhibiting the self-oxidation process of Cu2O and significantly enhancing the degradation of tetracycline hydrochloride","authors":"Jiale Li, Congcong Shen, Zhifeng Liu","doi":"10.1016/j.ces.2024.121030","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121030","url":null,"abstract":"This research focused on the utilization of non-precious metal copper (Cu) and <em>meso</em>-tetra(4-carboxyphenyl) porphyrin (TCPP), a porphyrin-based compound, to develop a ternary TCPP-Cu/Cu₂O heterojunction for the treatment of tetracycline hydrochloride (TCH). The degradation efficiency of TCH by the TCPP-Cu/Cu₂O reached 100 % within 30 min under visible light illumination (a 100 W Xenon lamp with 420 nm cutoff filter). The findings indicate that both Cu with localized surface plasmon resonance (LSPR) and porphyrin-based molecules play a role in augmenting the quantity and separation efficiency of photogenerated carriers. Furthermore, the integration of TCPP on the Cu/Cu₂O surface also shows two other important roles, 1) preventing the photocorrosion of Cu₂O, and 2) improving the hydrophilic properties of Cu₂O. LC-MS analysis identified four potential degradation pathways of TCH. This study presents a viable strategy for designing non-precious metal photocatalysts utilizing LSPR and organic molecules to enhance the photocatalytic degradation efficiency of antibiotics.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"74 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on failure diagnosis analysis of plunger gas lift system using convolutional neural network with multi-scale channel attention mechanism based on wavelet transform","authors":"Haowen Shi, Yubin Su, Yuan Pan, Weihan Zhang, Zhong Chen, Ruiquan Liao","doi":"10.1016/j.ces.2024.121031","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121031","url":null,"abstract":"Plunger gas lift technology has been extensively utilized in unconventional gas fields, owing to its distinct engineering benefits. However, as development challenges intensify, fault diagnosis has grown more intricate, and conventional diagnostic techniques exhibit delays and inaccuracies. With advancements in computer science, machine learning methods have demonstrated their prowess in establishing robust correlations between data features and prediction outcomes. Consequently, this paper introduces a convolutional neural network fault diagnosis model that incorporates a multi-scale channel attention mechanism based on wavelet transform. This model dissects features across various scales using wavelet transform and leverages channel attention to adaptively select channels encompassing fault features, thereby enhancing diagnostic and recognition accuracy. Furthermore, the model integrates a hyperparameter search optimization algorithm to refine the model’s architecture and comprehensively bolster its generalization capability. A comparison with actual field data reveals that the fault diagnosis accuracy of the WT-MACNN model stands at 83.33%. Digital ablation experiments underscore the limited accuracy of the basic CNN model in fault diagnosis, but the sequential introduction of the channel attention mechanism and wavelet transform layers significantly elevates model performance. When juxtaposed with SVM, KNN, and decision tree models, the WT-MACNN model exhibits a diagnostic accuracy improvement of 73.81%, 57.13%, and 54.76%, respectively. Additionally, to assess the model’s adaptability under diverse well conditions, this study reacquired 128 sets of field data. The verification results indicate that the model’s prediction accuracy across different well conditions is 83.59%. Despite occasional misjudgments among certain operating conditions, the overall performance remains outstanding, offering dependable support for diagnosing real-world scenarios. The outcomes of numerical experiments highlight the profound advantages of the proposed deep learning model in terms of generalization ability and diagnostic accuracy, validating its superiority in plunger gas lift fault identification and carrying substantial guidance for the application of this technology.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"7 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lattice Boltzmann study of water transport in stochastic porous catalyst layer towards enhanced PEMWE performance","authors":"Guangze Li, Mingyi Xu, Chaoqun Zhang, Yanzhou Qin, Guihua Liu, Jingde Li","doi":"10.1016/j.ces.2024.121019","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121019","url":null,"abstract":"The porous catalyst layer (CL), where the complex coupled mass, heat transfer and electrochemical reaction occurs, plays a crucial role in affecting the energy conversion efficiency of proton exchange membrane water electrolyzer (PEMWE). In this study, the lattice Boltzmann method (LBM) was introduced to study the liquid water transportation in three-dimensional CL model. The CLs were reconstructed using a stochastic algorithm based on the agglomerate catalyst model with varied agglomerate radius distributions. The LBM-calculated CLs absolute permeability reveals that liquid water transportation is enhanced under an average large agglomerate radius of 1 μm near the gas diffusion layer-catalyst layer interface. This design led to an 8.33 % increase in the absolute permeability compared to the CL with uniform agglomerate radius distribution. The three-dimensional PEMWE physical model incorporated with these CL structural parameters shows a 3.66 % increase in current density. These results offer some insights for realizing high performance PEMWE CL design.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"27 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green synthesis of chitosan-ZIF67 composite beads for efficient removal of Malachite Green and Tetracycline","authors":"Maryam Shahmansoori, Soheila Yaghmaei, Niyaz Mohammad Mahmoodi","doi":"10.1016/j.ces.2024.121017","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121017","url":null,"abstract":"To address the challenges posed by conventional water treatment technologies, it is essential to develop non-toxic adsorbents that are highly effective in removing pollutants. Herein, innovative, environmentally friendly chitosan-zeolitic imidazolate framework 67 (CSZ67) biocomposite beads were synthesized. They were used to remove the MG dye and Tetracycline. The Co²⁺ ions within the chitosan/Co²⁺ matrix serve as nucleation sites for the in-situ growth of ZIF-67. CSZ67 biocomposite beads with different [CS]:[Co] molar ratios named CSZ67-1 (1:0.5), CSZ67-2 (1:0.34), and CSZ67-3 (1:0.17) were synthesized. CSZ67-1 biocomposite exhibited the highest removal efficiency (96 %), and adsorption capacity (476 mg/g). The electrostatic interactions and π-π stacking are the dominant adsorption mechanisms. Dye removal follows the pseudo-second-order kinetic and Freundlich isotherm. The findings indicated that the biocomposite CSZ67-1, demonstrating a 75 % removal efficiency for tetracycline, not only exhibits high efficacy in adsorbing malachite green cationic dye but also performs effectively in the adsorption of tetracycline.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"37 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142753337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Laminar jet flow at the microscale: The characteristic sizes and the wave development","authors":"Qichen Shang, Daiwei Gu, Lin Sheng, Yu Chang, Jian Deng, Guangsheng Luo","doi":"10.1016/j.ces.2024.121016","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121016","url":null,"abstract":"Laminar jet flow is an underlying phenomenon used to generate droplets efficiently. However, its hydrodynamics at the microscale remains unknown. This work focuses on the scale effect. We innovatively propose the difference between the jet at the microscale and that at the regular scale is not in the wave development but in the regime of flow pattern, and it’s much more stable at the microscale. The characteristic effect at the microscale due to the intensified gas/liquid/solid–liquid interaction is first reported. The variations of characteristic sizes and hydrodynamics with the kinetic energy, physical property, and structural size at the microscale are analyzed by introducing two key parameters − wave velocity and wave numbers, which are first proposed. The result shows that the kinetic energy determines the hydrodynamics. Viscosity and interfacial tension significantly affect the microscale laminar jet. Using wave numbers, Tyler’s equation is modified, guiding the design of effective microdroplet-generation devices.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"76 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanochemical driven oxidative desulfurization of high-sulfur petroleum coke over [Bpy]PMoVn coupled with amide-based binary deep eutectic solvents","authors":"Yan Wang ,&nbsp;Hao Luan ,&nbsp;Jiahong Gong ,&nbsp;Mingqing Hua ,&nbsp;Peiwen Wu ,&nbsp;Huifang Cheng ,&nbsp;Yan Huang ,&nbsp;Hui Liu ,&nbsp;Jixing Liu ,&nbsp;Wenshuai Zhu","doi":"10.1016/j.ces.2024.121021","DOIUrl":"10.1016/j.ces.2024.121021","url":null,"abstract":"<div><div>Herein, a novel strategy combining heteropoly acid with deep eutectic solvent was developed to remove the sulfur from HSPC to produce low-sulphur petroleum coke (LSPC) with higher economic value, in which, phosphomolybdenum vanadium pyridine ionic liquid [Bpy]PMoV_n (n = 1, 2, 3) and air was used as catalyst and oxidant, and amide-based dibasic deep eutectic solvent (DES) as the extractant and solvent, respectively. The experimental results confirmed that the sulfur content of HSPC can be remarkably decreased from 4.46 wt% to 1.54 wt% under the optimal reaction temperature of 110 °C, reaction time of 8 h, catalyst dosage of 0.20 g, and air flow rate of 100 mL/min, due to the coupling effect between [Bpy]PMoV_n and DES. The results of reaction mechanism revealed that peroxyl radicals (O₂^<img>−) were the key active species in catalyzing the ODS of HSPC in the presence of the [Bpy]PMoV₂ catalyst.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121021"},"PeriodicalIF":4.1,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive accurate prediction of critical jet fuel properties with multiple machine learning models","authors":"Yitong Shao, Mengxian Yu, Mengchao Zhao, Kang Xue, Xiangwen Zhang, Ji-Jun Zou, Lun Pan","doi":"10.1016/j.ces.2024.121018","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121018","url":null,"abstract":"Quantitative structure–property relationship (QSPR) model development driven by emerging machine learning (ML) shows promise for accelerating design and preparation of jet fuels with complex hydrocarbon compositions. In this work, we collected 104 jet fuels from different refineries, determined the detailed components of the fuel composition, and tested the fuel properties (density, viscosity, net heat of combustion, freezing point and flash point) using standard methods to form a database of molecule structure/composition and properties. Subsequently, six mainstream ML algorithms were adopted to establish the QSPR models, in which the prediction accuracy of the best ML models for each property is improved to above 0.93. Finally, the best ML property models are applied to predict unseen RP-3 fuels, and all prediction errors are within acceptable limits. This effort not only provides valuable data for the construction of the jet fuel database, but also provides tools for predicting its critical properties.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"6 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transport through a chiral tiling: The effect of Aperiodicity on flow and particle capture","authors":"Joel L. Plawsky, Alex J. Rishty, Corey Woodcock","doi":"10.1016/j.ces.2024.121020","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121020","url":null,"abstract":"There have been many models built to describe composite or porous media. Most are built from collections of regular objects, like spheres, or space filling tilings, that are arranged or modified after the fact in a random or pseudo-random configuration. In this article, the use of an aperiodic, chiral tiling as an alternative is explored. Using these tilings, the underlying structure is not uniform, and the behaviors exhibited by this kind of system when pairs of walls are removed uniformly from each tile are considered. A number of different flow patterns arise, some with a braided structure, some with distinct channeling, and others that explored nearly the entirety of the space available. Particle capture in these systems could approach 90% and was nearly independent of the permeability of the system. The tortuous path particles were forced to travel through the structure contributed to its performance. Extruding the structure indicates that it has potential to be used to disperse a concentrated inlet. Applications are in the area of catalytic converters, heat exchangers, separations equipment, thermal interface materials, and even structural components.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"198 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A general rate equation theory for non– and catalytic coupling gas–solid reactions and its application to sorption-enhanced water gas shift","authors":"Jinzhi Cai, Zhenshan Li, Iwei Wang","doi":"10.1016/j.ces.2024.120975","DOIUrl":"https://doi.org/10.1016/j.ces.2024.120975","url":null,"abstract":"Sorption-enhanced water gas shift (SEWGS) involves the catalytic WGS reaction of CO with H₂O and the non-catalytic gas–solid carbonation reaction of CO₂ with CaO. This work proposes a first-principal rate equation theory for non– and catalytic coupling gas–solid reactions. The theory starts from quantum chemistry calculation and extends to larger scales to predict SEWGS experiments conducted in the reactor result without any empirical hypothesis. The coupling mechanism of non– and catalytic reactions is illustrated in a mesoscopic way, based on which the kinetic transition behavior and morphology change on the catalyst surface for WGS can be obtained. The hierarchical framework bridges the scale gap between elementary reactions and pilot plants and the prediction results of and gas profile at the exit of the bubbling bed and carbonation conversion are validated by experiments. The multiscale kinetics is promising to apply to non– and catalytic coupling gas–solid reaction kinetics studies.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"68 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the mixed deposition rate and phase transition thermodynamic parameters of crude oil wax crystals and hydrates","authors":"Xin Lv, Shi Shen, Huiyong Liang, Yanzhen Liu, Haiyuan Yao, Rui Qin, Haihong Chen, Yang Ge, Peng Xiao","doi":"10.1016/j.ces.2024.121022","DOIUrl":"https://doi.org/10.1016/j.ces.2024.121022","url":null,"abstract":"Throughout the development of deepwater oil and gas fields, the occurrence of mixed deposition involving wax and hydrate is a prevalent phenomenon. To understand this process, researchers have explored the kinetics and thermodynamic behavior governing the co-deposition of wax and hydrates. It was observed that the Gibbs free energy change of hydrate increases with increasing pressure, while the entropy change experiences a decrease under heightened pressure conditions. The Gibbs free energy change and entropy change of wax crystal precipitation exhibit an increase with rising wax concentration. In a 100 mL sample of simulated crude oil containing 10 vol% moisture and 2.5 wt% wax, the rate of solid phase deposition measures 0.1126 cm³/min when the temperature drops from 61 °C to 2 °C. The results exhibit that the dispersion of wax crystals within the oil phase serves to inhibit aggregation phenomenon during hydrate formation and can be effectively used to inhibit hydrate deposition.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"13 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142742734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}