Chemical Engineering Science最新文献

{"title":"Numerical assessment of flow uniformity and recirculation in a water electrolysis cell with knitted mesh and foam-like electrodes","authors":"Kevin Van Droogenbroek ,&nbsp;Christos Georgiadis ,&nbsp;Benoit Scheid ,&nbsp;Joris Proost","doi":"10.1016/j.ces.2025.121513","DOIUrl":"10.1016/j.ces.2025.121513","url":null,"abstract":"<div><div>In this work, single-phase Computational Fluid Dynamics (CFD) simulations are used to extract, based on a Residence Time Distribution (RTD) analysis, two representative parameters that allow to quantify electrolyte flow uniformity and flow recirculation in water electrolysis cells. This then allows to compare different cell geometries on the same ground. The optimum cell configuration is the one that homogenises the flow without generating recirculation of the electrolyte within the cell. In that case, we can take advantage of the whole surface area of the electrodes, without the risk of gas bubbles being trapped inside the cell. In a first step, several modifications of the injection channels are considered in a reference configuration using knitted mesh-type spacers as porous transport layer (PTL). Although this indeed results in some improvement in the flow behaviour, significantly better results are obtained by the use of foams as PTL: they increase the effective cell volume covered by the electrolyte and at the same time lower the risk of flow recirculation within the cell. Furthermore, keeping the foam’s pore size sufficiently large on the order of 3000 µm allows to limit the pressure drop across the cell.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"310 ","pages":"Article 121513"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582547","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":"Study on dissolution kinetics of rock salt in the construction of underground energy storage salt cavern","authors":"Tongtao Wang ,&nbsp;Dongzhou Xie ,&nbsp;Youqiang Liao ,&nbsp;Kai Xie ,&nbsp;Tao He","doi":"10.1016/j.ces.2025.121508","DOIUrl":"10.1016/j.ces.2025.121508","url":null,"abstract":"<div><div>Water solution mining is one of the ways to construct a salt cavern in rock salt formation. However, current research on the dissolution mechanism of rock salt is unclear. In this paper, the dissolution mechanism of rock salt is revealed and a kinetic model is established by a series of dissolution tests. Results show that ion diffusion is the control step of rock salt dissolution under static conditions, the surface reaction rate constant is 5 ∼ 6.4 times that of the ion diffusion rate constant. The temperature increases from 20 to 50 °C under static conditions, the dissolving rate of rock salt increases by 20 %. The convection of solution significantly promoted the dissolution of rock salt. When the stirring speed of rock salt increases from 0 to 600 rpm, the dissolving rate of rock salt can increase by 218 %. The average relative error of the predicted dissolving rate of rock salt is 13.14 %.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121508"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143590177","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":"Fluid dynamic characterization of binary droplet collisions via the pseudopotential lattice-Boltzmann method","authors":"Juan Restrepo-Cano,&nbsp;Francisco E. Hernández-Pérez,&nbsp;Hong G. Im","doi":"10.1016/j.ces.2025.121502","DOIUrl":"10.1016/j.ces.2025.121502","url":null,"abstract":"<div><div>A thermodynamically consistent modified pseudopotential lattice Boltzmann (LB) model was implemented to investigate the hydrodynamic behavior of picoliter droplets undergoing binary collisions for a wide range of realistic conditions and at large liquid-gas density ratios. The model was thoroughly validated for two benchmark cases, namely a stationary droplet for thermodynamic consistency assessment (equilibrium density and surface tension evaluation), and an ellipsoidal oscillating droplet for fidelity of capturing the transient behavior. For the latter, the deviations of the predicted oscillation period with respect to the analytical solution were below 1 %. Regarding the binary collisions of equal-size picoliter droplets at different impact velocities and collision angles, the predicted hydrodynamic behavior was compared with the recent experimental results (McCarthy et al., 2022), showing good agreement. The detailed simulation results were further analyzed to provide insights into the distinct physical characteristics in binary droplet collisions by examining the transient evolution of local momentum and energy budget in terms of kinetic energy, surface tension energy, and viscous dissipation, while also identifying the collision sub-regimes associated with each primary collision case. In the coalescence regime, a single main peak in the momentum profile, corresponding to droplet impact, is followed by a decaying oscillation pattern. The reflexive separation regime exhibits three distinct momentum peaks, associated with droplet impact, liquid head recombination, and stretching separation. In contrast, the stretching separation regime lacks the liquid head recombination phase, resulting in only two momentum peaks. Overall, reflexive separation involves seven sub-regimes: free droplet movement, droplet impact, initial elongation, liquid filament retraction, liquid head recombination, secondary stretching, and liquid filament breakup. However, in the stretching separation regime, both liquid head recombination and secondary stretching are absent. The present LB model faithfully captured the detailed physical characteristics for a wide range of parametric conditions. Lastly, extensive parametric simulations were undertaken to reproduce the Weber number-impact factor collision regime map and predict satellite droplet formation, showing good agreement with previous studies, further demonstrating the fidelity and robustness of the LB model for real droplet collision problems.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"310 ","pages":"Article 121502"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582546","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":"Evaluating the effects of amlodipine on the cardiovascular system by solving a lumped-parameter model coupled with a PKPD model using the EMSO process simulator","authors":"Luiza W. Diniz ,&nbsp;Heloisa L.S. Fernandes ,&nbsp;Argimiro R. Secchi","doi":"10.1016/j.ces.2025.121504","DOIUrl":"10.1016/j.ces.2025.121504","url":null,"abstract":"<div><div>Amlodipine is among the most commonly prescribed antihypertensive drugs. The need for safer clinical trials and optimized dosage regimens has driven the development of models to describe the effect of amlodipine on the cardiovascular system. Previous research has focused on evaluating arterial blood pressure as an empirical function of amlodipine concentration. This study employed a transient 0D model of the cardiovascular system alongside a pharmacokinetic/pharmacodynamic model of amlodipine to compute various cardiovascular variables in addition to arterial blood pressure. The EMSO process simulator was used to solve this model, similar to lumped parameter models adopted in chemical process simulations. The results are in agreement with experimental measurements of cardiovascular outcomes in normotensive patients. Simulations were useful in quantifying the improvements in arterial blood pressure, the mean transit time of blood in the microcirculation, the left ventricular ejection fraction, and other indices after administering amlodipine.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"310 ","pages":"Article 121504"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143590176","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":"Peeling off mechanism and influencing factors of adhesive oil film in ultra-deep tight reservoir − insights from molecular dynamics","authors":"Shun Liu ,&nbsp;Ying Qiu ,&nbsp;Tuo Liu ,&nbsp;Xin Li ,&nbsp;Xin Chen ,&nbsp;Jiahui Yang ,&nbsp;Xiaopeng Ma ,&nbsp;Huan Zhao ,&nbsp;Yao Wang ,&nbsp;Jianbin Liu","doi":"10.1016/j.ces.2025.121515","DOIUrl":"10.1016/j.ces.2025.121515","url":null,"abstract":"<div><div>Molecular dynamics simulations were conducted to investigate the microscopic interactions among rock, crude oil, and surfactants, elucidating the fundamental principles governing adhered oil film detachment in ultra-deep reservoirs. The study systematically analyzed surfactant-induced oil film peeling dynamics through three perspectives: (1) interfacial adsorption behavior, (2) energy evolution during peeling off, and (3) component-dependent peeling mechanisms. Furthermore, temperature, pressure, and surfactant concentration effects were quantitatively evaluated. Surfactant intervention triggered crude oil peeling off from rock surfaces, resulting in oil droplet dispersion within the water phase. The peeling process progressed through four characteristic phases: rapid acceleration, sustained growth, stabilization, and asymptotic equilibrium. This staged behavior originated from competitive surfactant interactions at both the oil–water interface and rock surface. Structural simplicity governed peeling efficiency, with saturated hydrocarbons (94.15 % removal at 3000 ps) significantly outperforming polar resins and asphaltenes (52.9 % residual). Thermal activation played a critical role: below 393 K, suppressed molecular mobility limited peeling off effect (lower than 40 %), whereas elevated temperatures (&gt;413 K) promoted water channel penetration and enhanced peeling off efficiency (over 80 %). Pressure variations (42–62 MPa) exhibited negligible impact (&lt;10 % peeling off efficiency fluctuation). Increasing surfactant concentration (0.0–10.0 wt%) exponentially reduced oil-rock interaction energy from −20000 kJ/mol to −12000 kJ/mol. Enabling removal 85 %-90 % oil within at concentrations of 5.0 %-10.0 %. These findings establish a mechanistic framework for designing surfactant-enhanced waterflooding systems in ultra-deep tight reservoirs.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121515"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143590178","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":"Single-frame multi-stage transformer-based segmentation network for droplet localization and volume prediction in digital microfluidics","authors":"Zelin Wang ,&nbsp;Dianhua Zhang ,&nbsp;Yuke Pan ,&nbsp;Fangdi Li ,&nbsp;Tao Zhang ,&nbsp;Jianguang Zhou","doi":"10.1016/j.ces.2025.121500","DOIUrl":"10.1016/j.ces.2025.121500","url":null,"abstract":"<div><div>Digital microfluidics (DMF) enables precise control of droplets for tasks like transportation, mixing, and analysis. However, current DMF systems rely on manual control, which is time-consuming and inefficient. Existing visual-based automated control systems typically depend on simple location techniques, which require stable lighting, multiple frames, or reference images, limiting their practicality and robustness. This paper proposes a single-frame multi-stage Transformer-based segmentation network (SMTSN) for multi-target segmentation of droplets and electrodes. Despite a low contrast (0.0177 Weber Contrast) between droplets and surrounding silicone oil, SMTSN can still achieves an <span><math><mrow><mi>A</mi><msub><mi>P</mi><mrow><mn>50</mn><mo>:</mo><mn>5</mn><mo>:</mo><mn>95</mn></mrow></msub></mrow></math></span> of 0.875 for droplet segmentation and 100 % accuracy in droplet localization. The network is integrated with the DeepSort tracking algorithm, enabling automated control of droplet operations such as merging, agitation, and separation. We conducted automated detection of five kinds of viral diarrhea in children across 1005 cases. Our results show 100 % consistency with the results of genetic sequencing.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121500"},"PeriodicalIF":4.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582550","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":"Two-dimensional carbon-based nanomaterials convoying dendrite-free Zn/Li metal batteries","authors":"Na Jiang ,&nbsp;Yuan Shao ,&nbsp;Xin Zhao ,&nbsp;Yong Zhang,&nbsp;Puda Lu,&nbsp;Lihang Ye,&nbsp;Qi Yang,&nbsp;Jieshan Qiu","doi":"10.1016/j.ces.2025.121499","DOIUrl":"10.1016/j.ces.2025.121499","url":null,"abstract":"<div><div>Zn and Li metal batteries have garnered significant interest due to their energy density advantage, whereas facing lifespan and safety challenges caused by dendrite formation. Two-dimensional carbon-based nanomaterials (2D-CNM) have been extensively utilized to address dendrite, leveraging their dimensional attributes such as lattice compatibility and feasible assembly. Despite the reviews on carbon materials in metal batteries, the correlation between the 2D structure of 2D-CNMs and dendrite suppression has not been reported. This study aims to fill this gap. It begins by introducing the dendrite formation mechanism and 2D-CNM advantages. Subsequent sections discuss how the pore structure engineering, surface chemistry, and assembly of 2D-CNM contribute to dendrite suppression from perspectives of ion mass transfer and electrodeposition electrode reaction. Insights into dendrite suppression based on advanced characterization techniques are also summarized. Finally, the paper identifies the remaining challenges and suggests potential solutions to steer the rapid progress in this burgeoning field.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121499"},"PeriodicalIF":4.1,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576339","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":"Mass transfer modeling of absorption and desorption behavior of atmospheric water with an aqueous potassium acetate solution in a packed column","authors":"Julius Potyka ,&nbsp;Antoine Dalibard ,&nbsp;Günter E.M. Tovar","doi":"10.1016/j.ces.2025.121503","DOIUrl":"10.1016/j.ces.2025.121503","url":null,"abstract":"<div><div>The potential of absorptive atmospheric water generation using a liquid salt solution offers the advantage of good scalability and specific uptake potential for atmospheric water. To investigate the sorption kinetics of an aqueous potassium acetate solution, a packed column experimental setup was constructed. A total of 99 runs were conducted to determine the sorption kinetics and the impact of varying experimental parameters. A maximum absorption rate of up to 8.6 g/s from the air was achieved with the mass flow rates and the inlet air humidity having the greatest positive impact on the absorption rate. Furthermore, the mass transfer was modeled using three distinct models for the mass transfer coefficients and the effective mass transfer area. The findings indicate that the Billet-Schultes model exhibits the least deviation from the observed results with an average of 15.6 % for absorption. The Onda (22.7 %) and Hanley-Chen model (16.8 %) demonstrate comparatively higher average deviations.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121503"},"PeriodicalIF":4.1,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576337","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":"Differences in organic and inorganic components of poplar, spirulina and pig manure form biochar of very distinct properties","authors":"Dezhi Zhou ,&nbsp;Kai Sun ,&nbsp;Shu Zhang ,&nbsp;Chao Li ,&nbsp;Xun Hu","doi":"10.1016/j.ces.2025.121512","DOIUrl":"10.1016/j.ces.2025.121512","url":null,"abstract":"<div><div>Poplar, spirulina and pig manure are representatives of woody biomass, algae, and biowastes in poultry breeding. They are all carbonaceous, but their distinct composition in both organic and inorganic fractions could impact properties/compositions of pyrolytic products. The detailed impacts were investigated herein by conducting pyrolysis of poplar, spirulina and pig manure at 500 °C and systematic analysis of resulting products. The results showed that bio-oil yield from poplar or spirulina was roughly 2 times of that from pig manure, due to their abundant organic components. However, the yield of biochar from poplar or spirulina was less than half of that from pig manure, but, on organic basis (excluding ash in biochar), the biochar yield was the highest from pyrolysis of poplar. Abundant inorganic components in pig manure formed ash-rich biochar (73.2 %), which was much higher than the ash content in spirulina-biochar (23.9 %) or poplar-biochar (9.0 %). This led to remarkably lower heating value (5.3 versus 26.3 MJ/kg for poplar-biochar) and much lower overall combustion index. Additionally, more intensive cracking induced by low thermal stability of organics in spirulina and pig manure, together with their abundant inorganics (i.e. SiO₂, CaCO₃ and KCl), resulted in remarkably lower carbon yields than that from pyrolysis of poplar. This, however, reduced the activation energy in pyrolysis of spirulina. Biological fibrous structures of poplar could be inherited by poplar-biochar, while morphology of pig manure-char was very irregular. Melting/agglomeration of proteins and lipids in spirulina formed spirulina-biochar of densified structures with smooth surface.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121512"},"PeriodicalIF":4.1,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582551","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":"Characteristics of iron phase migration and redox performance of Fe/Al particles blending with iron-rich sludge ash","authors":"Xiaoying Yuan,&nbsp;Jiahui Song,&nbsp;Wanxia Hu,&nbsp;Sheng Yao,&nbsp;Kun Wang,&nbsp;Cuiping Wang","doi":"10.1016/j.ces.2025.121501","DOIUrl":"10.1016/j.ces.2025.121501","url":null,"abstract":"<div><div>The problem of iron phase enrichment leading to activity decay to failure is currently a bottleneck in the industrialization of iron-based oxygen carriers (OCs) in chemical looping technology. Owing to the poly iron/poly aluminum coagulants usually used in wastewater disposal and finally into the sludge, sludge ash contains a high proportion of iron oxides. To investigate whether sludge ash has the potential to be an economic OC or an auxiliary iron-based OC, iron-rich sludge ash (IRSA), Fe/Al-OC, and their mixed OC in equal proportions (Fe1Ash1) were tested in 30 redox cycles using a thermogravimetric analyzer (TG) and tubular furnace. The TG analysis combined with BET and SEM results could present the following results. The IRSA shows a high oxygen-carrying capacity only in the first two cycles; Fe/Al-OC has a lower oxygen-transferring capacity, the Fe-phase enrichment and mechanical strength impairment are kept during multi-cycling reactions. As for Fe1Ash1, the oxygen-carrying capacity was higher than the theoretically weighted value, and the sintering of the sludge ash was slowed down. However, fragmentation and the low-melting-point Fe-containing components in the sludge ash were still present, and the released components and fragmented under higher temperature adhered to the surface and increased the surface Fe phase density of the Fe/Al-OC particle, the Fe concentration difference between the surface and section inhibited the migration of section Fe moving to the surface. Consequently, by blending IRSA, the iron phase migration of Fe/Al-OC was inhibited and the oxygen transfer performance was improved.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"309 ","pages":"Article 121501"},"PeriodicalIF":4.1,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576120","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}