Journals
2026 EN
Shen Wenyu · Li Yang · Gao Shaoyang
+5 more
Abstract Synergetic extraction system has been extensively applied in Li extraction to alleviate the increasingly severe shortage of lithium production. However, the underlying coordination mechanisms still remain unclear. Herein, a synergistic extraction system of sodium tetraphenylborate (NaBPh 4 ) and tributyl phosphate (TBP) was employed for Li + /Mg 2+ separation. With increasing TBP content in the organic phase, Li + extraction efficiency gradually rose from 88.64% to 92.20%. By contrast, Mg 2+ extraction efficiency presented an abnormal trend, which was an initial decrease followed by a gradual increase. High‐resolution electrospray ionization mass spectrometry together with quantum chemical calculations revealed that Mg 2+ mainly formed Mg(BPh 4 ) 2 at the low TBP content whereas the formed complex gradually transitioned to [Mg · 4TBP](BPh 4 ) 2 with increasing TBP content, leading to the initial decline in Mg 2+ extraction efficiency. Our work provides valuable insights into the mechanisms underlying Li + /Mg 2+ separation in the TBP system and offers a promising approach for broader applications.
Journals
2026 EN
Gao Yu · Li Yubin · Cao Min
+5 more
Abstract The targeted design of promoter–support interactions in Ni catalysts is pivotal yet challenging for achieving highly active low‐temperature CO/CO 2 methanation under mild conditions. We address this by developing a series of Sm 3+ , La 3+ , and Pr 3+ doped Ni–MgO–CeO 2 –Al 2 O 3 catalysts via an ultrasound‐assisted co‐precipitation method. The optimized Sm 3+ modified catalyst exhibited exceptional performance, featured by maximal oxygen vacancy concentration and enhanced metal–support interactions that facilitated CO and CO 2 adsorption/activation. This catalyst achieved 100% CO conversion and 95% CO 2 conversion with >97% CH 4 selectivity at 275°C and 15 bar. In situ FT‐IR studies reveal the mechanism involving key formation of oxygenated intermediates and hydrogenation. Critically, the catalyst demonstrated outstanding stability over 200 h in real‐world CO 2 ‐supplemented coke oven gas methanation. Integrating this catalyst, we further proposed a two‐stage reactor system that directly produced pipeline‐grade methane (89.9%), significantly reducing capital expenditure and energy consumption for industrial coal‐to‐gas applications.
Journals
2026 EN
Perez Aaron · Findley John M. · Granite Evan J.
+2 more
Abstract Machine learning can effectively accelerate materials development in real‐world sorbent applications including clean‐up of polluted impoundment sites. Zeolites synthesized from coal fly ash can adsorb contaminants, such as boric acid, from water. Machine learning models were trained on molecular simulation data to predict boric acid uptake based on zeolite structure, aluminum content, extra‐framework cation species, and boron concentration in solution. Overall, eXtreme Gradient Boosting models yielded the highest speed and accuracy. The models were used with a genetic algorithm to enable concentration‐specific zeolite optimization for coal ash impoundment sites. Results indicate small pore zeolite frameworks such as PHI, CHA, AVE, ERI with low Si/Al ratios and a mix of Na and Ca metal cations are most effective for boric acid removal. Our use of machine learning models with a genetic algorithm has broad implications for machine learning‐aided materials design.
Journals
2026 EN
Li Chong · Shen Rouwen · He Tengyu
+3 more
Abstract High‐performance polyamide (PA) composite membranes prepared via interfacial polymerization (IP), the use of cosolvents to enhance the solubility of aromatic amine monomers has gained significant attention. However, previous attempts often required high cosolvent concentrations (>50 wt%), which compromised membrane performance. This study demonstrates that a low concentration of N , N ‐dimethylformamide (DMF) as the cosolvent in the water phase is sufficient to promote the formation of a uniform and thin PA layer (20.3 ± 2.07 nm) on the porous substrate. The effects of DMF concentration were investigated. The introduction of DMF significantly enhances interfacial stability and alters diffusion dynamics. The membrane formed with 30% DMF exhibits a high methanol permeance of 22.4 L m −2 h −1 (LMH) bar −1 along with 99.2% rejection of rose bengal (RB). The smooth surface morphology significantly improves the membrane anti‐fouling properties. The study demonstrates a facile cosolvent‐assisted IP process to fabricate the high‐performance thin film composite (TFC) membrane, which has wide applications in organic solvent nanofiltration.
Journals
2026 EN
Chen Hongsheng
Abstract The coalescence of compound droplets with unequal‐sized inner cores are numerically investigated by using a three‐dimensional Shan–Chen multicomponent lattice Boltzmann method. Distinct stages of liquid bridge growth, shape relaxation, and breakup/re‐coalescence phenomenon are discussed in detail. Simulations demonstrate that the outer bridge follows inertial scaling ( R b ∝ t 1 / 2), while the inner bridge exhibits viscous‐dominated linear growth ( R b ∝ t ). Shape relaxation analysis shows the outer layer achieves equilibrium rapidly through a two‐stage logarithmic decay, while the inner core displays a three‐stage relaxation due to confinement effects. The interesting breakup/re‐coalescence phenomenon is characterized by the pressure field and fluid flow around the droplets, and a theoretical criterion for breakup is derived, which is further validated by a phase diagram. This work advances the fundamental understanding of the coalescence of compound droplets, with implications for industrial applications such as droplet reactors, drug delivery, and droplet‐based microfluidics.
Journals
2026 EN
Sirkar Amalesh · Bhattacharjee Sauradeep · Ghosh Pallab
Abstract Unidirectional ejections in binary and ternary liquid–liquid systems within a diffusion cell were linked to diverse molecular motions driven by energy instability (EI). The nature of the ejected streams varied with time. Still, they were similar across different systems, with ejections occurring from the interface's specific portions over extended durations. Some systems exhibited intermittent ejections. One system exhibited interfacial jerking due to the interface's spreading, caused by extremely low interfacial tension. An improved theory of EI was proposed, incorporating the raffinate phase barrier and the viscosities of both the solute and raffinate phases. This theory explains how molecular clusters form mass ejections larger than the molecular diameter by merging molecules having different energies. The theory was also justified by comparing various phenomena across systems. The significance of this work lies in enhancing the understanding of ejection mechanisms and predicting interfacial mass transfer rates, offering valuable insights for various liquid–liquid applications.
Journals
2026 EN
Xia Liming · Hou Gang · Zhang Bofeng
+3 more
Abstract Structured catalysts take advantage of high diffusion efficiency and low heat transfer resistance, effectively boosting reactions in non‐adiabatic gas–solid processes. However, traditional coating catalysts face problems of weak bond strength. Nanosized zeolites with rich hydroxyl as crystal seeds could effectively improve the binding strength of zeolite coatings, but their poor crystallinity resulted in low growth content. Here, we designed large‐size hollow zeolites and anatase as seeds to prepare metal@Silicalite‐1 structured catalysts. Hollow zeolites provided abundant nucleation sites and increased the growth content of zeolite by 1.8 times. Meanwhile, the abundant Si‐OH and the enriched surface Ti‐OH significantly strengthened the adhesion stability of the coatings. In the propane dehydrogenation reaction, the optimized PtZn@S‐1‐10HT exhibited a high specific activity of 14.1 mol C3H6 mol Pt −1 s −1 with propylene selectivity up to 96.4% at 600°C. This strategy breaks the inherent contradiction between high loading and strong binding ability of coating catalysts, which broadens the avenues for industrial applications.
Journals
2026 EN
Shu Yuan · Tian Xicai · Shi Meiyu
+3 more
Abstract Rh‐metal clusters, characterized by an ultrahigh surface‐to‐volume ratio approaching 100%, serve as pivotal active centers in hydroformylation. However, such Rh clusters containing numerous Rh–Rh metallic bonds typically exhibit limited selectivity for oxygenated products. Herein, we report the architectural engineering of high‐entropy‐alloy Rh nanoclusters (Rh‐HEACs) confined within MCM‐41 mesopores, achieving a remarkable styrene turnover frequency (TOF) of 7377.0 h −1 , 3‐fold over that of RhMg@MCM‐41 (2675.0 h −1 ). The Rh‐HEA architecture not only reduces the surface density of Rh–Rh assemblies but also modifies adsorption behavior through its distinctive electronic configuration. Specifically, the interfacial coupling among Rh, Cu, Co, Zn, and Mg induces electron transfer from the transition metals to Rh centers. This unique electronic structure weakens CO binding while preserving styrene affinity, optimizing reaction pathways. Our findings convincingly demonstrate that HEA nanoclusters bridge the critical performance gap between heterogeneous and homogeneous Rh‐based catalytic systems in hydroformylation applications.
Journals
2026 EN
Yang Weichen · Liu Yuxin · Li Runzi
+5 more
Abstract Ibuprofen, a widely used nonsteroidal anti‐inflammatory drug (NSAID), is valued for its analgesic, antipyretic, and anti‐inflammatory properties. While batch synthesis remains dominant in industry due to its maturity, it presents drawbacks such as long reaction times, high energy consumption, and complex byproduct profiles. In response to growing demands for greener pharmaceutical manufacturing, continuous flow technology has emerged as a promising alternative. It offers enhanced efficiency, scalability, and environmental compatibility. This review highlights recent advancements in ibuprofen synthesis via batch and continuous flow approaches, with a focus on the development of catalytic systems, reactor optimization, and process intensification. The fundamental principles of flow chemistry and the current technical challenges are discussed. The study aims to provide insights into transitioning toward sustainable, high‐efficiency production of ibuprofen and to offer insights into broader applications of flow technology in pharmaceutical synthesiser.
Journals
2026 EN
Wang Tianqi · Chen Daisong · Zhang Tianyi
+7 more
Abstract Air separation via selective adsorption using porous adsorbents offers energy‐efficient alternatives to cryogenic distillation for producing high‐purity O 2 and N 2 . Adsorbent efficacy depends on balancing selectivity, durability, and performance consistency across varying conditions. This comprehensive review critically discusses the design and development of advanced porous adsorbents, including zeolites, metal–organic frameworks, and carbon molecular sieves, among other adsorbents, for air separation applications. We analyze their adsorption mechanisms, structure‐performance relationships, and operational challenges such as moisture sensitivity, regeneration energy demands, and long‐term stability under dynamic conditions. Recent advances enhance selectivity and capacity, but limitations persist in practical applications. By integrating mechanistic insights with performance benchmarks, this work identifies underexplored opportunities in molecular‐level material design to guide next‐generation adsorbents. This critical review bridges fundamental discoveries with adsorbent engineering, offering a roadmap to develop robust and effective adsorbents with the potential to replace energy‐intensive cryogenic methods across various scales.