Chemical Engineering Science最新文献

{"title":"Molecular structure-derived stability mechanism for sustainable amine-based CO2 capture","authors":"Lidong Wang ,&nbsp;Chensheng Ma ,&nbsp;Qin Dai ,&nbsp;Kangkang Li ,&nbsp;Kaiqi Jiang","doi":"10.1016/j.ces.2025.121760","DOIUrl":"10.1016/j.ces.2025.121760","url":null,"abstract":"<div><div>Solvent degradation is the most critical challenge of amine-based CO₂ capture technology, which necessitates the development of chemically stable amine/amine blends to mitigate the absorbent degradation for industrial application. This study experimentally examined fourteen structurally different amines, namely the relatively stable cyclic, sterically hindered, and tertiary amines, to reveal the relationship between amine structure and chemical stability. The cyclic amines with a symmetrical ring structure greatly promote their oxidative stability, whilst the asymmetrical ring structure exhibited poor performance due to its relatively high C-N bond flexibility. The potential intramolecular interaction between the parent ring and the branched chain also reduced the stability of cyclic amines. While sterically hindered amines showed desirable oxidative stability thanks to the C-N bond protection by substitutions adjacent to amino group, their stability was very sensitive to the number of chain and the type of functional group surrounding to the amino group. Thermal stability of sterically hindered amines was also less satisfactory. It is observed that the amines with a rigid C-N bond, a longer branched chain connected to parent ring, and a preferable steric hinderance substantially promote the oxidative stability, with approximately 20 times less degradation compared to the benchmark MEA. Quantum calculation of bond dissociation energies (BDEs) of hydrogen-containing bonds were performed to reveal the atom position of radical formation that initiates the amine degradation. The potential degradation pathways were further predicted based on the positions of radical formation and the calculation of reaction Gibbs energy for possible degradation reactions. The analysis of heat stable salts products and the nitrogen distribution in the degraded solutions confirmed the bond cleavage position induced by radical formation and the reaction pathways, which clarified the potential amine oxidation mechanism. This work is anticipated to provide the generic principles to evaluate and develop the chemically stable amine solvent towards long-term operation of the amine process.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121760"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901640","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":"Unlocking enhanced productivity of tailored TFC-NF polyamide membranes via post physico-chemical structuring","authors":"Arkaprava Ray ,&nbsp;Utpal G. Thummar ,&nbsp;Bhaumik Sutariya ,&nbsp;E. Poonguzhali ,&nbsp;S. Prabhakar ,&nbsp;Puyam Sobhindro Singh","doi":"10.1016/j.ces.2025.121753","DOIUrl":"10.1016/j.ces.2025.121753","url":null,"abstract":"<div><div>The TFC-NF membrane, a low-pressure filtration technology, is recognized for its ion rejection and hydrophilic properties, making it ideal for wastewater treatment and low-brackish hard water. This study introduces a solvent activation method, where ideal aprotic solvents like DMSO (dimethyl sulfoxide) and DMF (dimethylformamide) are absorbed into the membrane’s active layer. This approach achieved a remarkable ∼ 15-fold increase in permeate flux. Post-activation, the molecular weight cut-off (MWCO) of the membranes was analyzed, revealing a sequence of DMSO (MWCO: 385 g.mol⁻1) &gt; DMF (MWCO: 370 g.mol⁻1) = DMF:DMSO (MWCO: 370 g.mol⁻1) &gt; Pristine (MWCO: 350 g.mol⁻1), aligning with solvent swelling degrees. Comprehensive physio-chemical characterization, using SEM, AFM, XPS, contact angle analysis, MWCO determination, and zeta potential measurements, highlighted correlations between membrane structure and transport properties. These findings underscore how polar aprotic solvent activation can significantly enhance membrane performance, advancing efficient water treatment technologies.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121753"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901639","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":"Process validation of propane dehydrogenation in a CFB reactor with heat supply and catalyst regeneration: CFD simulation coupled with reaction kinetics","authors":"Han Yang,&nbsp;Jiageng Li,&nbsp;Zhong-Wen Liu","doi":"10.1016/j.ces.2025.121756","DOIUrl":"10.1016/j.ces.2025.121756","url":null,"abstract":"<div><div>Although fixed-bed and moving-bed technologies for propane dehydrogenation have been commercialized in large scales, the process efficiency is still low due to the highly endothermic nature of the reaction and quick catalyst deactivation. Herein, the superiority of the circulating fluidized bed reactor in mitigating these issues is validated, in which the continuous dehydrogenation-regeneration process for propane dehydrogenation is numerically studied with integrated heat supply by using circulating catalyst particles as heat carriers and catalyst regeneration to remove deposited coke. The physical model of the riser with considering the heat supply and catalyst regeneration is developed to simplify the full-loop reactor. Additionally, the two-fluid model, incorporating a sub-grid drag model and detailed reaction kinetics, is adopted to simulate the propane dehydrogenation process in the circulating fluidized bed reactor, and key operating parameters are optimized. Results indicate the reactor with integrated heat supply and catalyst regeneration can be operated steadily under a wide range of operating conditions. Specifically, higher catalyst inventory, circulating particle temperature, and regeneration extent all positively contribute to the propylene yield, while the optimal inlet gas flow rate for maximizing propylene yield is found to range between 20 and 25 Nm³·h⁻¹. These findings promote the understanding of the propane dehydrogenation processes in circulating fluidized bed reactors.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121756"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901534","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 mixing behaviors between the intrusive side fluid and the main fluid in a LDPE tubular reactor","authors":"Xiaoqiang Fan ,&nbsp;Wenjie Cong ,&nbsp;Yao Yang ,&nbsp;Jingdai Wang ,&nbsp;Yongrong Yang","doi":"10.1016/j.ces.2025.121764","DOIUrl":"10.1016/j.ces.2025.121764","url":null,"abstract":"<div><div>The intrusive tee-junction mixing process in LDPE tubular reactors is investigated through computational fluid dynamics (CFD) simulation, and a special climbing mixing pattern under a large main-to-side flow rate ratio is observed. The formation mechanism of climbing mixing is the result of the interaction between the main fluid, side fluid, and side feed pipe, especially due to the formation of local low-pressure areas and vortex structures that push the flow along the wall of the side feed pipe in the direction opposite to the side feed. Influences of the side feed pipe’s insertion length on the critical conditions for the transition from jet mixing to climbing mixing are discussed. A dimensionless parameter Δ<em>P</em>/(<em>v</em>_m,<em>_L</em>²·<em>ρ</em>_m) is proposed to explain the mixing pattern transition quantitatively. It is concluded that as the insertion length increases, the main fluid velocity should increase to provide enough radial static pressure difference and form the climbing mixing pattern.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121764"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143897490","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":"Influence of Influent Properties on Microbubble Size in Pressurized Dissolution-Based Generation Methods","authors":"Haknyeong Hong ,&nbsp;Joseph Heng ,&nbsp;Carlos Parra-Escudero ,&nbsp;Jiakai Lu","doi":"10.1016/j.ces.2025.121755","DOIUrl":"10.1016/j.ces.2025.121755","url":null,"abstract":"<div><div>Microbubbles, due to their smaller size, possess distinctive physicochemical properties that enhance performance and efficiency across various industrial applications. The pressurized dissolution method is widely used for microbubble generation due to its ability to produce high concentrations of small bubbles. Many industrial processes use microbubbles under varying temperature and pH conditions to optimize process performance. However, the effects of these parameters on the size of microbubbles have not been systematically studied. This study comprehensively investigates the influence of discharge pressure drop, temperature, and pH on the size of microbubbles generated by the pressurized dissolution method. A phase Doppler anemometry (PDA) system was used for microbubble characterization. We found that the normalized arithmetic mean diameter (<em>d₁₀</em>*) follows a power-law relationship with normalized discharge pressure drop (<em>ΔP</em>*). The power law index is influenced by temperature and pH levels. A multilinear regression model was developed to establish a significant correlation between the power law index and these factors, which notably affect microbubble size. The model revealed negative correlations between the power law index and both temperature and pH. Furthermore, the normalized Sauter mean diameter (<em>d₃₂*</em>) also follows a power law relationship with <em>ΔP*</em>. However, the power law index for <em>d₃₂</em> is consistently smaller than the corresponding power law index for the arithmetic mean diameter as <em>d₃₂</em> is largely weighted by the larger size of bubbles. These findings provide valuable insights into controlling the size of microbubbles, which potentially enhance process performance and efficiency across industries operating under various temperature and pH conditions.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"314 ","pages":"Article 121755"},"PeriodicalIF":4.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901535","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":"Experimental study on the combustion and emission characteristics of thermal release-assisted load increase in a circulating fluidized bed","authors":"Zengcai Ji, Guoliang Song, Haiyang Wang","doi":"10.1016/j.ces.2025.121774","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121774","url":null,"abstract":"To address the challenges posed by the intermittency and fluctuation of renewable energy sources on the power grid, coal power will serve as a flexible resource, ensuring stability and security. In this paper, in response to the problems of large thermal inertia and low load change rate encountered during the load increase process in circulating fluidized bed (CFB), an experimental study on the combustion and emission characteristics of thermal release-assisted load increase process was carried out. The experimental results indicate that the thermal release significantly affects combustion efficiency, NO_x emission, and the rate of load increase. Compared to conventional load increase, when the load is raised from 50% and 30% to 100%, the combustion efficiency improves by 0.9% and 0.4%, respectively. NO_x emissions increase by 23% with no change observed in the latter case, while CO emissions decrease by 56% and 36%, respectively. Additionally, the load increase rate rises by 48% and 37%. As the discharge material temperature increases, the NO_x emissions first decrease and then increase, CO emissions decrease, combustion efficiency improves, and the rate of load increase is enhanced. At discharge temperatures of 650 ℃, 750 ℃, and 850 ℃, the load increase rate increased by 23%, 31%, and 48%, respectively.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"43 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143897645","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":"Numerical analysis of transient gas-solid flow in a non-mechanical L-valve","authors":"Mengyuan Wang ,&nbsp;Kai Huang ,&nbsp;Rui Liu ,&nbsp;Xinhao Li ,&nbsp;Yuxuan Liu ,&nbsp;Yifan Liu ,&nbsp;Chunlei Pei ,&nbsp;Jinlong Gong","doi":"10.1016/j.ces.2025.121769","DOIUrl":"10.1016/j.ces.2025.121769","url":null,"abstract":"<div><div>The performance of non-mechanical valves is determined by the gas–solid interactions. This paper describes the transient gas–solid flow behaviors in a non-mechanical L-valve analyzed with computational fluid dynamics coupled with discrete element method. The simulated gas–solid flow in the downcomer and horizontal pipe agrees well with the theoretical and empirical correlations. It is found that the gas flow direction in the downcomer changes during the transient flow. A linear correlation between the dimensionless pressure drop and aeration rate is identified, enabling the construction of a phase diagram to characterize gas flow regimes in the downcomer. The gas flow direction is depicted as upward along the downcomer above the line. In contrast, the bottom area stands for the gas flowing downward from the downcomer into the horizontal pipe of the L-valve. This study provides an instructive guidance for the design and application of non-mechanical valve.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121769"},"PeriodicalIF":4.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143893114","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":"Exploring the role of temperature on hydrotropy","authors":"Dinis O. Abranches ,&nbsp;Bruna P. Soares ,&nbsp;Isabella W. Cordova ,&nbsp;Jordana Benfica ,&nbsp;Olga Ferreira ,&nbsp;Simão P. Pinho ,&nbsp;João A.P. Coutinho","doi":"10.1016/j.ces.2025.121759","DOIUrl":"10.1016/j.ces.2025.121759","url":null,"abstract":"<div><div>Aqueous solubility can be enhanced through hydrotropy, where an amphiphilic molecule (the hydrotrope) aggregates around the solute, boosting its solubility. To understand the impact of temperature on this phenomenon, the solubility of syringic acid was measured in aqueous solutions of different bio-based hydrotropes. Solubility curves were modelled using Gaussian processes, a powerful class of machine learning interpolators. This allowed for a thermodynamic analysis of excess solvation properties that was complemented using the COSMO-RS model.</div><div>As expected, the absolute solubility of syringic acid increased with temperature. However, at low hydrotrope concentrations, this increase was not driven by interactions in the liquid phase. Thus, the solubility enhancement of syringic acid was found to be independent of temperature. Conversely, at high hydrotrope concentrations, increasing the temperature significantly decreased the solubility enhancement of the solute. These effects were interpreted considering different solubilization mechanisms, namely hydrotropy (low hydrotrope concentrations) and co-solvency (high hydrotrope concentrations).</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121759"},"PeriodicalIF":4.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143893112","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":"Discovery of classical gas-solid flow correlations using a reinforcement learning-based symbolic regression framework","authors":"Zhong Xiang, Xi Chen","doi":"10.1016/j.ces.2025.121767","DOIUrl":"https://doi.org/10.1016/j.ces.2025.121767","url":null,"abstract":"Empirical correlations are extensively applied to predict minimum fluidization velocity in gas–solid flow systems; however, their generalizability and physical consistency remain limited under complex conditions. This work integrates a deep reinforcement learning-based symbolic regression framework, Physical Symbolic Optimization (PhySO), to rediscover and improve classical correlations. A systematic benchmark comprising eleven representative expressions across four correlation categories was established, incorporating domain knowledge such as dimensionless numbers and dimensional homogeneity to constrain the search space.The proposed framework yielded compact and physically consistent expressions that retained key features of classical models. For complex formulations, such as the Ergun correlation, expression complexity was reduced from 24 to 14 while maintaining high predictive accuracy (<em>R</em>² = 0.9930). Performance across multiple random seeds confirmed the model’s stability, and tests under noise levels up to 10 % demonstrated strong robustness. These findings demonstrate the potential of physics-informed symbolic regression as an interpretable and reliable alternative to conventional or black-box models for multiphase flow prediction.","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"104 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143893115","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":"Experimental and numerical study of droplet breakup in a jet mixer","authors":"Zhenyu Wu ,&nbsp;Tonghuan Yu ,&nbsp;Yi Zhu ,&nbsp;Jinjin Cai ,&nbsp;Feng Zhou ,&nbsp;Yong Nie","doi":"10.1016/j.ces.2025.121771","DOIUrl":"10.1016/j.ces.2025.121771","url":null,"abstract":"<div><div>Jet mixers are essential for multiphase jet reactors to achieve efficient mixing, while their design and optimization are limited by insufficient information on multiphase flow within a jet mixer. A numerical and experimental study was conducted on droplet breakup in an orifice jet mixer. First, a numerical method for jet flow was established and validated with the velocity field measured by particle image velocimetry. Droplet dynamics experiments were then carried out on a high-speed microscope platform. The results show that numerous droplets are generated in a single deformation process, resulting in a reduction of breakup time by orders of magnitude compared to traditional theory. Finally, a new breakup model was developed and implemented into OpenFOAM. The prediction of droplet size distribution is greatly improved, with the mean relative deviation of Sauter mean diameter being 6.96 %. This work provides new insights into droplet dynamics in high-energy dissipation fields.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"313 ","pages":"Article 121771"},"PeriodicalIF":4.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143893116","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}