Chemical Engineering Science最新文献

{"title":"Aromatization-free strategy for sustainable aviation fuel: Co-upcycling waste oils and polystyrene plastics into alkanes and aromatics","authors":"Dongxian Li ,&nbsp;Xianzhi Meng ,&nbsp;Shenlin Huang ,&nbsp;Jia Wang ,&nbsp;Jianchun Jiang","doi":"10.1016/j.ces.2024.121100","DOIUrl":"10.1016/j.ces.2024.121100","url":null,"abstract":"<div><div>Sustainable aviation fuel (SAF) is a promising solution for reducing aviation-related carbon emissions. However, conventional SAF production methods such as waste oil aromatization face challenges like complex processing requirements and the generation of unwanted polycyclic aromatic hydrocarbons (PAHs). This study presents a novel, aromatization-free approach to SAF production by co-upcycling waste oils and polystyrene (PS) plastics. The inherent aromatic ring structures in PS plastics are utilized to directly form aromatic hydrocarbons, bypassing the need for traditional aromatization. A two-stage pressurized fixed-bed reactor was employed, where waste oils and PS underwent co-hydropyrolysis to generate intermediates, followed by gas-phase catalytic hydrogenation. Under optimized conditions (0.15 MPa H₂, 480 °C for co-hydropyrolysis, 350 °C for hydrogenation, and 5 mg Pd/SBA-15 catalyst), this process yielded 71.0 wt% C₈-C₁₆ jet fuel components, with 84.5 % selectivity. In comparison, catalysts with higher acidity, such as Pd/HZSM-5 and Pd/USY, promoted side reactions like cracking, leading to lower liquid yields (35.7 wt% and 18.1 wt%, respectively) and a more complex product mixture. Additionally, Pd/SBA-15 catalyst demonstrated excellent stability, maintaining consistent catalytic performance over 10 repeated cycles, and showed potential for scalability with a variety of waste plastics and oils. The study underscores the feasibility of co-upcycling waste oils and PS plastics, offering an efficient, sustainable pathway to streamline SAF production while reducing the environmental impacts associated with conventional methods.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121100"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142832735","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 numerical study on the mixing time prediction of miscible liquids with high viscosity ratios in turbulently stirred vessels","authors":"Sorosh Mirfasihi ,&nbsp;Wrichik Basu ,&nbsp;Philip Martin ,&nbsp;Adam Kowalski ,&nbsp;Claudio P. Fonte ,&nbsp;Amir Keshmiri","doi":"10.1016/j.ces.2024.120944","DOIUrl":"10.1016/j.ces.2024.120944","url":null,"abstract":"<div><div>Mixing processes are crucial in industrial applications, including food, pharmaceutical, and chemical manufacturing, to ensure product homogeneity and quality control. Effective control of high-viscosity fluid mixing is essential due to intricate mixing dynamics involved. This study evaluates blending time predictions from two Computational Fluid Dynamics (CFD) methodologies for simulating the mixing of two miscible liquids with high contrasting viscosities. The investigation employed a scalar transport model coupled with a Reynolds-Averaged Navier-Stokes (RANS) Finite Volume Method (FVM) solver and a Lattice Boltzmann Large Eddy Simulation (LB-LES) solver to assess flow parameters against experimental data. Blending times were validated against Electrical Resistance Tomography (ERT) based measurements in a 2.6-litre baffled vessel agitated by a Rushton turbine under turbulent conditions. Results indicated both models align closely with experimental trends of dimensionless blending time relative to fluid properties; however, accuracy reduced as viscosity ratios exceeded a critical Reynolds number threshold.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 120944"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142735918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","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 ,&nbsp;Mengxian Yu ,&nbsp;Mengchao Zhao ,&nbsp;Kang Xue ,&nbsp;Xiangwen Zhang ,&nbsp;Ji-Jun Zou ,&nbsp;Lun Pan","doi":"10.1016/j.ces.2024.121018","DOIUrl":"10.1016/j.ces.2024.121018","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121018"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","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":"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 ,&nbsp;Yubin Su ,&nbsp;Yuan Pan ,&nbsp;Weihan Zhang ,&nbsp;Zhong Chen ,&nbsp;Ruiquan Liao","doi":"10.1016/j.ces.2024.121031","DOIUrl":"10.1016/j.ces.2024.121031","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121031"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","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":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of citrate ester surfactants on the MMP, extraction and swelling behaviors between CO2 and oil: Applications for enhanced shale oil recovery","authors":"Houjian Gong ,&nbsp;Huan Zhang ,&nbsp;Wei Lv ,&nbsp;Zeke Zhang ,&nbsp;Hai Sun ,&nbsp;Long Xu ,&nbsp;Mingzhe Dong","doi":"10.1016/j.ces.2024.121039","DOIUrl":"10.1016/j.ces.2024.121039","url":null,"abstract":"<div><div>The impacts of citrate ester surfactants on the MMP, extraction and swelling behaviors between CO₂ and oil were investigated to enhance shale oil recovery. Firstly, the dissolution behaviors of citrate ester in CO₂ and the influence of citrate ester on the MMP between CO₂ and oil were investigated by the phase-transition-point measurement. Then, the effects of citrate ester on the extraction and swelling behaviors between CO₂ and oil were explored by a newly-designed method. At last, the effect of surfactant on the shale oil recovery during CO₂ huff-n-puff process was discussed. The results show that compared with citrate ester B, citrate ester A has a lower cloud-point pressure and higher effect to decrease the MMP of oil and CO₂. The extraction ratio and swelling ratio both increase with the increase of CO₂ pressure and the increase of oil content in the oil and CO₂ systems. Citrate ester A can enhance the extraction and swelling effects of CO₂ to oil and the promoting effect increases with the increasing surfactant concentration. The presence of 1% citrate ester A in CO₂ can enhance the oil recovery about 10% caused by the decreasing MMP, improvements of extraction, swelling and solution-gas-drive effects.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121039"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142789770","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":"Investigation on asymmetric splitting behavior of droplets through T-junction with different-length branches","authors":"Yufeng Zhang ,&nbsp;Pengyu Li ,&nbsp;Bo Zhou ,&nbsp;Xiangdong Liu","doi":"10.1016/j.ces.2024.121075","DOIUrl":"10.1016/j.ces.2024.121075","url":null,"abstract":"<div><div>The utilization of T-junction microchannels with different lengths of branches is considered as the preferred method for asymmetric splitting to generate microdroplets with various sizes. In this study, a T-junction microfluidic chip with different-length branches is designed and an experimental platform is set up to visualize droplet asymmetric splitting in the chip, with a focus on elucidating microfluidic droplet asymmetric splitting behaviors. Through detailed analysis of the interface evolution and changing of the characteristic interface morphological parameters during the splitting process, the splitting flow patterns are clearly recognized and the underlying hydrodynamic mechanisms are revealed. Moreover, the influencing factors and their regulation rules on the asymmetric splitting volume ratios are also exposed. The results indicate that there are four types of flow patterns during droplet asymmetric splitting, i.e., splitting with obstruction and tunnel (SOT), splitting with tunnels and consequent droplets flowing in the opposite direction (ST-O), splitting with tunnels and consequent droplets flowing in the same direction (ST-S), and no splitting (NOS). A phase diagram of droplet splitting flow patterns is given. With the increasing initial droplet length for a given Capillary number, the splitting flow pattern experiences a transition from the NOS to the SOT through the ST-S and the ST-O. The splitting process comprises three distinct stages: the entering stage, the squeezing and splitting stage, and the post-splitting stage. During the squeezing and splitting stage, the competition of upstream continuous phase squeezing and interfacial tension causes asymmetric splitting by uneven shrinkage of the droplet neck. Additionally, it is found that the droplet final splitting volume ratio (<em>V_l</em>/<em>V</em>_s) increases with droplet length in the SOT flow pattern, while it decreases with droplet length in the ST-O and ST-S flow patterns. Importantly, the final <em>V_l</em>/<em>V</em>_s of the SOT pattern remains similar with increasing <em>Ca</em> for the same droplet length. However, the final <em>V_l</em>/<em>V</em>_s of the ST-O and ST-S pattern decreases with increasing <em>Ca</em>.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121075"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142797398","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":"Reactor design of oxidative species generation for process intensification of photolytic ozonation","authors":"Daniela Palomares-Reyna ,&nbsp;Fabiola S. Sosa-Rodríguez ,&nbsp;Beatriz Bonola-Barrientos ,&nbsp;Fernando F. Rivera-Iturbe ,&nbsp;Jorge Vazquez-Arenas","doi":"10.1016/j.ces.2024.121111","DOIUrl":"10.1016/j.ces.2024.121111","url":null,"abstract":"<div><div>The experimental and theoretical productions of oxygen, ozone, and hydrogen peroxide are accounted for during a photolytic ozonation (PO) process, with the aim of selecting a suitable reactor maximizing the interaction between ozone and radiation. In this process, ozone (O₃) reacts with water (H₂O) to produce oxygen (O₂) and hydrogen peroxide (H₂O₂). Additionally, ozone reacts with hydrogen peroxide, leading to the formation of the ozonide radical anion (O₃^•-), oxygen (O₂), and protons (H⁺). An ozonide radical trapping test was conducted using Sulfamethoxazole (SMX) as a model contaminant. To analyze the presence of ozonide, ascorbic acid was supplied to the cylindrical reactor. The oxidation processes for radical detection lasted for 90 min. The inhibition of SMX oxidation confirmed the presence of the ozonide radical. Experimental measurements are firstly evaluated to estimate kinetic constants using in-line sensors and permanganometry method, which are subsequently connected in a proposed reaction model applied to three different reactor geometries (e.g. parallel plates, serpentine, cylindrical). Species distribution is considered in the fluid dynamics of these configurations in terms of water inlet velocity at Reynolds numbers of 6.4, 12.8, 25.6, and 102.4. It is found that experimental data for oxidant productions are appropriately fitted by theoretical models, confirming the validity of the proposed model kinetic constants. Likewise, the kinetic reaction model can be simplified into two main reactions, with the major products being H₂O₂, O₂, and O₃^•-. While ozone concentrations increase at higher Reynolds numbers, hydrogen peroxide and oxygen exhibited linear growth over time, and O₃^•- production showed nonlinear behavior. The cylindrical reactor design demonstrates optimal reaction efficiency, combining effective mixing and continuous operation at significant cost savings due to reduced energy requirements, making it suitable for applications involving oxidant production using radiation and ozone. To this concern, the significance of O₃^•- generation, flow regime and reactor geometry are determining factors to maximize the oxidant concentrations.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121111"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841199","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":"Construction of a uniform Pt-Bi2O3 interface to enhance selective oxidation of glycerol to dihydroxyacetone","authors":"Zhiyi Yu,&nbsp;Junyan Fang,&nbsp;Wenyao Chen,&nbsp;Yueqiang Cao,&nbsp;Jing Zhang,&nbsp;Xuezhi Duan,&nbsp;Gang Qian,&nbsp;Xinggui Zhou","doi":"10.1016/j.ces.2024.121113","DOIUrl":"10.1016/j.ces.2024.121113","url":null,"abstract":"<div><div>Uniform catalytic active sites are crucial for both fundamental studies and practical applications. In this study, a Bi₂O₃-coated carbon nanotubes (CNTs) composite (Bi₂O₃-CNTs) was employed as a support to immobilize Pt catalysts using both atomic layer deposition (ALD) and impregnation methods. The geometric and electronic properties of the catalysts, along with their performance in the base-free oxidation of glycerol to dihydroxyacetone (DHA), were comparatively investigated. The results indicate that the ALD-prepared catalyst significantly outperforms the impregnation-prepared one in terms of catalytic activity and DHA yield. Characterization of the catalysts reveals that the superior performance of the ALD-prepared catalyst is attributed to the uniform Pt- Bi₂O₃ interface and the positively charged Pt species. Furthermore, tuning the geometric and electronic properties of ALD-prepared Pt catalysts leads to the development of a catalyst featuring a relatively abundant Pt-Bi₂O₃ interface and electron-deficient Pt, resulting in enhanced catalytic performance. These findings may offer valuable guidance for developing and optimizing Pt-based catalysts for the selective oxidation of glycerol to DHA.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 121113"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841200","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":"Coal-to-aromatics process integrated with dry/steam-mixed reforming: Techno-economic analysis and environmental evaluation","authors":"Junqiang Zhang ,&nbsp;Peng Dong ,&nbsp;Haifeng Lei ,&nbsp;Ruonan Liu ,&nbsp;Junwen Wang ,&nbsp;Zhitong Zhao ,&nbsp;Wei Zhang","doi":"10.1016/j.ces.2024.120934","DOIUrl":"10.1016/j.ces.2024.120934","url":null,"abstract":"<div><div>Two alternative coal-to-aromatics processes, the methane steam reforming-assisted process (NG-CTA-S) and methane dry/steam reforming-integrated process (NG-CTA-DS), are proposed to mitigate carbon dioxide (CO₂) emissions associated with conventional coal-to-aromatics (CTA) processes. This study conducted a detailed process simulation and optimization of key parameters to determine the aromatic production route with the lowest carbon emission. A comprehensive technical and economic analysis, along with an environmental assessment, was carried out to compare the proposed processes with existing ones. The results indicate that the NG-CTA-DS process has demonstrated superior techno-economic performance and environmental evaluation. It achieved an elemental carbon utilization of 85.95 %, an energy efficiency of 78.80 %, a reduced CO₂ emission of 3.65 kg/kg-aromatics, and a production cost of only 1018.87 M$. Therefore, it is evident that the proposed NG-CTA-DS process holds significant potential to enhance the technical, economic, and environmental performance compared to the conventional process, making it a promising candidate for industrialization.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 120934"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142665478","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":"Movement of oil droplets against salt concentration gradients in thin capillaries","authors":"Tian Wang ,&nbsp;Alexander Shapiro ,&nbsp;Simon Ivar Andersen","doi":"10.1016/j.ces.2024.120983","DOIUrl":"10.1016/j.ces.2024.120983","url":null,"abstract":"<div><div>Mobilization of residual oil droplets is the key process for enhanced oil recovery. Visualization of the droplet movement at a pore level provides insights on the underlying physical mechanisms. We couple a microfluidic droplet generator and a thin glass capillary to study the movement of oil droplets under salinity gradients with visualization of individual droplet movements. The driving forces that affect the movement of the droplets are discussed. We demonstrate experimentally that oil droplets in micro-confined channels can be mobilized and move against pressure under the concentration gradients of dissolved salts. The gradient-driven movement can be strong enough to drive a droplet through a narrow constriction in the middle of the capillary channel. The droplet movement can be understood by combining a Marangoni stress due to surfactant redistribution, electrostatic interaction and diffusiophoresis. This suggests that the abrupt change of salinity may be one of the physical mechanisms of smart waterflooding.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"304 ","pages":"Article 120983"},"PeriodicalIF":4.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142713049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}