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Toward scalable diffusio-osmotic power generation with Pt-decorated reduced graphene oxide membranes 用pt修饰的还原氧化石墨烯膜进行可扩展的扩散渗透发电
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-24 DOI: 10.1016/j.desal.2025.119678
Anxin Jiao , Bence Gao , Chenguang Zhu , Lei Yu , Shangfa Pan , Jun Gao
Salinity gradient energy extracted via reverse electrodialysis process has been considered as a promising complementary renewable energy. Yet, the reverse electrodialysis process requires highly selective membrane, which induces many problems including the selectivity-permeability trade-off, concentration polarization, etc., resulting in limited power density, scalability and increasing the membrane cost. In this work, we found that Pt-decorated reduced graphene oxide membrane shows almost no ion selectivity but can convert salinity gradient energy. Such conversion is based on the diffusio-osmosis flow, a purely interfacial phenomenon that can induce osmotic current without any requirement of ion selectivity. The diffusio-osmotic flow can be further augmented by light illumination while the absence of selectivity is kept. Therefore, the membrane realizes a power density of 5.3 W/m2 in hypersaline water sources using a testing area (7 mm2) that is at least two orders of magnitude larger than most previous works (≤0.03 mm2). The power density is the highest among similar-sized membranes. The requirement on the pore size is lifted as the material has a larger channel height than restrained by reverse electrodialysis. This work provides direct experimental evidence for the diffusio-osmotic power generation using non-selective membranes and may advance the practical deployment of salinity gradient power generation.
通过反电渗析工艺提取盐度梯度能被认为是一种很有前途的补充可再生能源。然而,反电渗析工艺需要高选择性的膜,这导致了许多问题,包括选择性-渗透性权衡,浓度极化等,导致功率密度和可扩展性有限,增加了膜成本。在这项工作中,我们发现铂修饰的还原氧化石墨烯膜几乎没有离子选择性,但可以转换盐度梯度能量。这种转化是基于扩散-渗透流动,这是一种纯粹的界面现象,可以诱导渗透电流,而不需要离子选择性。在不存在选择性的情况下,光照射可进一步增强扩散-渗透流动。因此,该膜在高盐水源中实现了5.3 W/m2的功率密度,使用的测试区域(7 mm2)比大多数以前的工作(≤0.03 mm2)至少大两个数量级。功率密度是同类膜中最高的。由于材料具有比反向电渗析所限制的更大的通道高度,因此提高了对孔径的要求。本研究为非选择性膜扩散渗透发电提供了直接的实验依据,并可能推进盐度梯度发电的实际应用。
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引用次数: 0
Enhanced selectivity for the removal of Al3+ from the simulated rare earth leachate via a 3D electrochemical hydrolysis process 三维电化学水解过程对模拟稀土渗滤液中Al3+的选择性增强
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-24 DOI: 10.1016/j.desal.2025.119679
Chenjiahui Wang , Jian Li , Dongyue Xie , Xudong Liu , Jiayi Zan , Linlin Chang , Yaobin Lai , Yangyang Xie , Xuxia Zhang , Hui Zhang , Tao Qi , Rongde Li , He Bi , Changming Wang , Chenchen Wang
Aluminum is a typical impurity in the solutions and products from ionic rare earth leachate. Recently, our group has reported a novel electrochemical method for the removal of Al3+ from ionic rare earth leachate. Since the amount treated is related to the cathodic current, the influence of cathodes with large surface area must be focused. The key parameters, such as current density and pore density, were investigated. Across the initial Al3+ concentration range of 28.6–97.74 ppm, the Al3+ removal efficiency consistently exceeded 90 %, with the RE loss remaining below 6 %. Specifically, at an initial Al3+ concentration of 28.6 ppm, the removal efficiency of Al reached 94.26 % on 3D cathode at 0.3 mA/cm2 with the rare earth loss ratio of 4.95 % at the charge of 11.25 mA·h. As a comparison, the two data were 67.89 % and 7.18 % on a nickel plate cathode at the same charge. Furthermore, the specific energy consumption was reduced by 27.35 %. The high specific surface area of the 3D cathode facilitated a milder local pH, leading to more efficient aluminum removal and reduced deposition of REEs on the electrode surface. This work might be an important step toward a clean electrochemical process for the separation of Al and RE ions.
铝是离子稀土渗滤液和产物中典型的杂质。最近,本课题组报道了一种从离子型稀土渗滤液中去除Al3+的新型电化学方法。由于处理量与阴极电流有关,因此必须关注表面积大的阴极的影响。对电流密度、孔隙密度等关键参数进行了研究。在初始Al3+浓度为28.6 ~ 97.74 ppm范围内,Al3+的去除率始终在90%以上,RE的损失率保持在6%以下。其中,在初始Al3+浓度为28.6 ppm时,在0.3 mA/cm2时,3D阴极上Al的去除率达到94.26%,在11.25 mA·h时,稀土的损失率为4.95%。在镍板阴极上,在相同的充电条件下,这两个数据分别为67.89%和7.18%。比能耗降低27.35%。3D阴极的高比表面积促进了较温和的局部pH值,从而更有效地去除铝并减少了电极表面稀土的沉积。这项工作可能是迈向Al和RE离子分离的清洁电化学过程的重要一步。
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引用次数: 0
Pilot-scale membrane distillation modeling: Validation, comparison, and consensus 中试膜蒸馏模型:验证、比较和共识
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-22 DOI: 10.1016/j.desal.2025.119674
Martijn Bindels , Juan A. Andrés-Mañas , Weijian Ding , Ivaylo Hitsov , Oyku Mutlu-Salmanli , Mukta Hardikar , Tzahi Y. Cath , Johan Vanneste , Radisav D. Vidic , Andrea Achilli , Ritesh Pawar , Ismail Koyuncu , Kerri L. Hickenbottom , Bart Nelemans , Guillermo Zaragoza , Amy E. Childress
Pilot-scale air-gap membrane distillation (AGMD) models have shown inconsistent predictive performance due to the lack of modeling consensus and validation across diverse systems. This study presents the first robust, cross-system validation and refinement of four pilot-scale AGMD models using an aggregated experimental dataset of 2716 datapoints that cover a wide range of feed salinities, module sizes, membrane and spacer configurations, and both AGMD and vacuum-assisted AGMD (V-AGMD) systems. Modeling consensus was achieved under real-world operating conditions by (i) using empirical correlations for the Nusselt number, (ii) applying a resistance-in-series approach for the thermal conductivity of the membrane, (iii) incorporating the ePTFE support layer into the air gap, and (iv) accounting for entrapped distillate in the air gap. The adjustments were guided by measurements, imaging, and literature, and were analyzed using root-mean-square error and mean error. The resulting modeling consensus and aggregated dataset provide a reliable foundation for AGMD system design, model calibration, and performance optimization across the broader range of operating conditions for which MD is being applied. This work also provides additional insight into how entrapped distillate influences the performance of AGMD.
中试规模的气隙膜蒸馏(AGMD)模型由于在不同系统中缺乏建模共识和验证而显示出不一致的预测性能。本研究首次对四种中试AGMD模型进行了稳健的跨系统验证和改进,使用了2716个数据点的综合实验数据集,涵盖了广泛的饲料盐度、模块尺寸、膜和间隔配置,以及AGMD和真空辅助AGMD (V-AGMD)系统。在实际操作条件下,通过(i)使用努塞尔数的经验相关性,(ii)应用膜导热系数的串联电阻方法,(iii)将ePTFE支撑层纳入气隙,以及(iv)考虑气隙中捕获的馏分物,实现了建模共识。调整以测量、成像和文献为指导,并使用均方根误差和平均误差进行分析。由此产生的建模共识和聚合数据集为AGMD系统设计、模型校准和在更广泛的操作条件下的性能优化提供了可靠的基础。这项工作还提供了额外的见解如何捕获蒸馏影响AGMD的性能。
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引用次数: 0
Functionalized MXene-reinforced PPO-based nanocomposite anion exchange membranes for high-performance water electrolysis 功能化mxene增强聚丙烯基纳米复合阴离子交换膜用于高性能水电解
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-21 DOI: 10.1016/j.desal.2025.119643
Mohammad Mahbub Kabir , M.A. Zaed , Yeshi Choden , R. Saidur , Leonard Tijing , Sherub Phuntsho , Sang Yong Nam , Ho Kyong Shon
One of the major challenges in advancing anion exchange membrane water electrolysis (AEMWE) lies in addressing the trade-offs between dimensional stability, electrochemical performance, and mechanical integrity of anion exchange membranes (AEMs). Overcoming these trade-offs is crucial for improving the performance and reliability of AEMWE systems. In this study, we addressed this challenge by developing a series of nanocomposite AEMs by reinforcing quaternized poly(phenylene oxide) (QPPO) with ammonium-functionalized MXene (NH4+-Ti3C2Tx). The resulting membranes exhibited significant enhancement in dimensional stability, electrochemical performance, mechanical strength, and thermal stability compared to the pristine QPPO membrane. Among the composite AEMs, QPPO-NH4-Mx-3.0 demonstrated the notable overall performance, achieving an impressive hydroxide (OH) ion conductivity (IC) of 153.2 mS cm−1 at 80 °C-2.5 times higher than that of virgin QPPO. Additionally, the membrane contributed excellent tensile strength of 61.2 MPa, 4 times greater than that of the pristine QPPO, and achieved a peak current density of 2.1 A cm−2 at 2 V in 1 M KOH at 60 °C. The membrane also showcased exceptional alkaline stability, retaining 80.2 % of its initial IC after three weeks of immersion in 1 M KOH. Durability testing further validated its robustness, achieved a stable operation maintained up to 150 h of electrolysis with a minimal voltage decay rate of 1.5 mV h−1. In summary, the QPPO-NH4-Mx-3.0 demonstrates substantial promise as a high-performance AEM for advancing AEMWE technology, paving the way for more efficient and reliable water electrolysis systems.
推进阴离子交换膜水电解(AEMWE)的主要挑战之一是解决阴离子交换膜(AEMs)的尺寸稳定性,电化学性能和机械完整性之间的权衡。克服这些权衡对于提高AEMWE系统的性能和可靠性至关重要。在这项研究中,我们通过用氨功能化的MXene (NH4+-Ti3C2Tx)增强季铵盐化聚(苯基氧化物)(QPPO)来开发一系列纳米复合AEMs来解决这一挑战。与原始的QPPO膜相比,所得膜在尺寸稳定性、电化学性能、机械强度和热稳定性方面都有显著提高。在复合AEMs中,QPPO- nh4 - mx -3.0表现出显著的综合性能,在80°c - 80°c时,氢氧化物(OH -)离子电导率(IC)达到153.2 mS cm - 1,是原QPPO的2.5倍。此外,该膜的抗拉强度为61.2 MPa,是原始QPPO的4倍,在2 V、1 M KOH、60°C条件下的峰值电流密度为2.1 a cm−2。该膜还表现出优异的碱性稳定性,在1 M KOH中浸泡三周后,其初始IC保留了80.2%。耐久性测试进一步验证了其坚固性,在电解150小时内实现了稳定运行,电压衰减率最小为1.5 mV h−1。综上所述,qppo - nh4 - x-3.0作为一种高性能的AEM,为推进AEMWE技术的发展铺平了道路,为更高效、更可靠的水电解系统铺平了道路。
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引用次数: 0
Ice-cold seawater evaporation achieved by loading polydopamine and graphene oxide on cobalt foam 通过在钴泡沫上加载聚多巴胺和氧化石墨烯实现冰冷的海水蒸发
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-21 DOI: 10.1016/j.desal.2025.119664
Xinzhe Liu , Ting Chen , Jinliang Xu , Guohua Liu
This study focuses on achieving the ice-cold seawater evaporation and develops a novel interfacial evaporation system based on cobalt foam loaded with polydopamine (PDA) and graphene oxide. As a supporting framework, cobalt foam provides mechanical support for the system and promotes heat transfer due to its excellent thermal conductivity and three-dimensional network structure. PDA enhances the binding force between graphene oxide and cobalt foam, improves surface hydrophilicity, and assists in photothermal conversion. Graphene oxide is an efficient photothermal conversion material, and the porous structure formed by its sheets facilitates the transport and evaporation of ice-cold seawater. Indoor experiments and outdoor tests show that this system exhibits excellent evaporation performance for ice-cold seawater (1.68 kg·m−2·h−1), offering a new and effective approach to solving the energy-consumption problem in seawater desalination.
本研究以实现低温海水蒸发为核心,开发了一种基于泡沫钴负载聚多巴胺(PDA)和氧化石墨烯的新型界面蒸发系统。泡沫钴作为支撑框架,由于其优异的导热性和三维网络结构,为体系提供了机械支撑,促进了传热。PDA增强了氧化石墨烯和泡沫钴之间的结合力,改善了表面亲水性,并有助于光热转换。氧化石墨烯是一种高效的光热转换材料,其薄片形成的多孔结构有利于冰冷海水的运输和蒸发。室内试验和室外试验表明,该系统对冰冷海水(1.68 kg·m−2·h−1)具有良好的蒸发性能,为解决海水淡化的能耗问题提供了一条新的有效途径。
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引用次数: 0
Chelation-gated ion transport in EDTA-functionalized COF membranes: A molecular-level mechanistic study 螯合门控离子在edta功能化COF膜中的转运:分子水平的机制研究
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-21 DOI: 10.1016/j.desal.2025.119673
Dao Xiang , Xianyu Song , Wenjun Xiang , Meiying Huang , Chuxiang Zhou , Shuangliang Zhao , Honglai Liu
The development of high-performance membranes for seawater and hypersaline brines requires precise control over ion selectivity and water permeability. Here, we report an ethylenediaminetetraacetic acid (EDTA)-functionalized COF membrane that achieves exceptional separation through a molecularly engineered chelation-gated transport mechanism. Thermodynamic analysis reveals that EDTA strongly binds multivalent cations, following the order Mg2+ > Ca2+ > NH4+ ≈ Li+ > Na+ ≈ K+ > water, highlighting its potential for selective ion sequestration. Under pressures up to 50 MPa, all tested ions (Mg2+, Ca2+, Na+, K+, Li+, and NH4+) exhibited >90 % rejection, while water flux increased from 1.2 × 104 to 4.5 × 104 kg·m−2·h−1. Application to a realistic high-salinity wastewater mixture (Mg2+, Ca2+, Na+, Cl, SO42−, and NO3) showed that the modified COF maintained high flux and > 90 % rejection for all ions, whereas the pristine COF exhibited negligible separation. Mechanistic elaboration using two-dimensional density and hydrogen-bond maps reveals that EDTA grafting induces localized chelation, reduces effective pore size, and enables differentiated ion sieving. Overall, the proposed EDTA-COF membrane outperforms ∼90 % of reported COF membranes, achieving both higher ion rejection and greater water flux. This study establishes a design paradigm for ion-selective membranes, demonstrating that molecular-level chelation engineering enables simultaneous high permeability and selectivity under extreme salinity. Our findings establish a new design paradigm for ion-selective membranes, where molecular-level control of chelation chemistry enables simultaneous high permeability and selectivity under extreme salinity conditions.
开发用于海水和高盐盐水的高性能膜需要精确控制离子选择性和水渗透性。在这里,我们报道了一种乙二胺四乙酸(EDTA)功能化的COF膜,该膜通过分子工程螯合门控运输机制实现了卓越的分离。热力学分析表明,EDTA结合多价阳离子的顺序为Mg2+ >; Ca2+ > NH4+≈Li+ > Na+≈K+ > water,突出了其选择性离子封存的潜力。在高达50 MPa的压力下,所有测试离子(Mg2+、Ca2+、Na+、K+、Li+和NH4+)都有90%的截留,而水通量从1.2 × 104增加到4.5 × 104 kg·m−2·h−1。应用于实际的高盐度废水混合物(Mg2+、Ca2+、Na+、Cl−、SO42−和NO3−)表明,改性COF对所有离子保持高通量和>; 90%的截留,而原始COF的分离可以忽略不计。利用二维密度图和氢键图进行的机理分析表明,EDTA接枝诱导了局部螯合作用,减小了有效孔径,并实现了差异化离子筛分。总体而言,所提出的EDTA-COF膜的性能优于已有报道的COF膜的约90%,既能实现更高的离子截除率,又能实现更大的水通量。本研究建立了离子选择性膜的设计范例,表明分子水平的螯合工程可以在极端盐度下同时实现高渗透性和选择性。我们的发现为离子选择膜建立了一种新的设计范式,其中螯合化学的分子水平控制可以在极端盐度条件下同时实现高渗透性和选择性。
{"title":"Chelation-gated ion transport in EDTA-functionalized COF membranes: A molecular-level mechanistic study","authors":"Dao Xiang ,&nbsp;Xianyu Song ,&nbsp;Wenjun Xiang ,&nbsp;Meiying Huang ,&nbsp;Chuxiang Zhou ,&nbsp;Shuangliang Zhao ,&nbsp;Honglai Liu","doi":"10.1016/j.desal.2025.119673","DOIUrl":"10.1016/j.desal.2025.119673","url":null,"abstract":"<div><div>The development of high-performance membranes for seawater and hypersaline brines requires precise control over ion selectivity and water permeability. Here, we report an ethylenediaminetetraacetic acid (EDTA)-functionalized COF membrane that achieves exceptional separation through a molecularly engineered chelation-gated transport mechanism. Thermodynamic analysis reveals that EDTA strongly binds multivalent cations, following the order Mg<sup>2+</sup> &gt; Ca<sup>2+</sup> &gt; NH<sub>4</sub><sup>+</sup> ≈ Li<sup>+</sup> &gt; Na<sup>+</sup> ≈ K<sup>+</sup> &gt; water, highlighting its potential for selective ion sequestration. Under pressures up to 50 MPa, all tested ions (Mg<sup>2+</sup>, Ca<sup>2+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Li<sup>+</sup>, and NH<sub>4</sub><sup>+</sup>) exhibited &gt;90 % rejection, while water flux increased from 1.2 × 10<sup>4</sup> to 4.5 × 10<sup>4</sup> kg·m<sup>−2</sup>·h<sup>−1</sup>. Application to a realistic high-salinity wastewater mixture (Mg<sup>2+</sup>, Ca<sup>2+</sup>, Na<sup>+</sup>, Cl<sup>−</sup>, SO<sub>4</sub><sup>2−</sup>, and NO<sub>3</sub><sup>−</sup>) showed that the modified COF maintained high flux and &gt; 90 % rejection for all ions, whereas the pristine COF exhibited negligible separation. Mechanistic elaboration using two-dimensional density and hydrogen-bond maps reveals that EDTA grafting induces localized chelation, reduces effective pore size, and enables differentiated ion sieving. Overall, the proposed EDTA-COF membrane outperforms ∼90 % of reported COF membranes, achieving both higher ion rejection and greater water flux. This study establishes a design paradigm for ion-selective membranes, demonstrating that molecular-level chelation engineering enables simultaneous high permeability and selectivity under extreme salinity. Our findings establish a new design paradigm for ion-selective membranes, where molecular-level control of chelation chemistry enables simultaneous high permeability and selectivity under extreme salinity conditions.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"620 ","pages":"Article 119673"},"PeriodicalIF":9.8,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Energy efficiency of single-pass electrodialysis and nanofiltration/reverse osmosis for brackish water desalination: An experimental comparison 单次电渗析和纳滤/反渗透用于咸淡水淡化的能源效率:实验比较
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-20 DOI: 10.1016/j.desal.2025.119670
Youssef-Amine Boussouga , Ramatisa Ladeia Ramos , Emmanuel O. Ogunniyi , Bryce S. Richards , Andrea I. Schäfer
Brackish water desalination is a key solution for addressing the growing demand for drinking water in areas with limited access to freshwater resources. In this experimental study, reverse osmosis (RO), nanofiltration (NF), and single-pass electrodialysis (SPED) autonomous small-scale systems were investigated for brackish water desalination based on salt removal, specific energy consumption (SEC), and thermodynamic energy efficiency. With a production capacity of 40–180 L/h at a common recovery of 30 %, RO could achieve permeate salinities < 1000 mg/L at feed salinities up to 12 g/L, whereas NF and SPED were limited to 10 and 6 g/L, respectively. Under typical operation, defined here by 10 % recovery for a single NF/RO module and 50 % for a SPED system, permeate quality with salinity below 1000 mg/L could be achieved at ≤ 17.5 g/L for RO, and ≤ 15 g/L for NF and SPED. When operating at comparable recovery (30 %), SPED demonstrated lower SEC (0.7–1.4 Wh/L) than NF (1.8–3.2 Wh/L) and RO (2.4–3.7 Wh/L) across the investigated salinities 1–12 g/L. However, operating NF/RO at 10 % doubled the SEC due to reduced permeate production, while SPED maintained a stable SEC under 50 % recovery. For brackish water up to 12 g/L salinity, SPED showed higher energy efficiency than NF and RO when comparing experimental SEC with the minimum energy for desalination. These findings highlight the potential of SPED for low-to-moderate salinity brackish water, the suitability of NF/RO for stricter water quality, and the need for optimized recovery or hybrid processes to balance energy use and performance.
咸淡水脱盐是解决淡水资源有限地区日益增长的饮用水需求的关键解决办法。在这项实验研究中,研究了反渗透(RO)、纳滤(NF)和单道电渗析(SPED)自主小型系统对咸淡水的脱盐、比能耗(SEC)和热力学能效的影响。RO的生产能力为40-180 L/h,一般回收率为30%,在饲料盐度高达12 g/L时,渗透盐度可达1000 mg/L,而NF和SPED分别限制在10和6 g/L。在典型操作下,这里定义为单个NF/RO模块回收率为10%,超速系统回收率为50%,盐度低于1000 mg/L的渗透质量在RO≤17.5 g/L, NF和超速系统≤15 g/L时可以实现。当采收率(30%)相当时,在所研究的盐度1-12 g/L范围内,SPED的SEC (0.7-1.4 Wh/L)低于NF (1.8-3.2 Wh/L)和RO (2.4-3.7 Wh/L)。然而,由于渗透产量降低,10%的NF/RO操作使SEC增加了一倍,而在50%的采收率下,SPED保持了稳定的SEC。对于盐度为12 g/L的微咸水,在对比实验SEC和最小脱盐能量时,SPED比NF和RO表现出更高的能量效率。这些发现强调了SPED在低至中等盐度微咸水中的潜力,NF/RO在更严格的水质中的适用性,以及优化回收或混合工艺以平衡能源使用和性能的必要性。
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引用次数: 0
Improving nanofiltration-based lithium/magnesium separation process using explainable artificial intelligence 利用可解释的人工智能改进基于纳米过滤的锂/镁分离工艺
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-20 DOI: 10.1016/j.desal.2025.119672
Zixuan Tang , Yuanmiaoliang Chen , Di He , Yang Yang , Weike Yao , Zhangxin Wang
Nanofiltration (NF) is a promising route for lithium/magnesium (Li/Mg) separation, but rational membrane design remains challenging. Using two recent performance metrics—the ion-permeability ratio PLi/PMg (for Li/Mg selectivity) and the ion-to-water permeability ratio PLi/Pw (for Li recovery) —we compiled a comprehensive literature dataset for NF-based Li/Mg separation and trained explainable machine-learning models to predict membrane performance. Of four tree-based algorithms tested, XGBoost and CatBoost performed best for selectivity and recovery, respectively; these were combined into a unified XG-CAT framework. SHapley Additive exPlanations (SHAP) recovered key mechanistic drivers—size sieving, Donnan exclusion, hydrophilicity, and pressure/flux effects—and revealed nonlinear threshold behaviors. Applying XG-CAT to 1000,000 virtually generated membranes identified 18 candidate designs predicted to surpass current benchmarks; these cluster around small effective pore sizes (≈100–150 Da), moderate selective-layer thicknesses (≈140–200 nm), and positive surface charge, while illustrating the intrinsic trade-off between selectivity and recovery. The results demonstrate the value of explainable ML for guiding NF membrane design and provide concrete, testable design principles for lithium recovery from brines.
纳滤(NF)是锂/镁(Li/Mg)分离的一种很有前途的方法,但合理的膜设计仍然具有挑战性。利用两个最新的性能指标——离子渗透率比PLi/PMg(用于Li/Mg选择性)和离子对水渗透率比PLi/Pw(用于Li回收率)——我们编制了基于nf的Li/Mg分离的综合文献数据集,并训练了可解释的机器学习模型来预测膜的性能。在测试的四种基于树的算法中,XGBoost和CatBoost分别在选择性和恢复方面表现最好;这些被合并成一个统一的XG-CAT框架。SHapley加性解释(SHAP)恢复了关键的机制驱动因素——尺寸筛分、Donnan排除、亲水性和压力/通量效应——并揭示了非线性阈值行为。将XG-CAT应用于100,000个虚拟生成的膜,确定了18个候选设计,预计将超过目前的基准;它们聚集在小有效孔径(≈100-150 Da)、中等选择层厚度(≈140-200 nm)和正表面电荷周围,同时说明了选择性和回收率之间的内在权衡。结果证明了可解释ML对指导纳滤膜设计的价值,并为从盐水中回收锂提供了具体的、可测试的设计原则。
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引用次数: 0
High-value recovery of magnesium from seawater brine: Fabrication of hydromagnesite nanosheets for flame-retardant PVA composites with biomimetic brick and mortar structure 从海水卤水中高价值回收镁:用于仿生砖瓦结构阻燃PVA复合材料的氢菱镁矿纳米片的制备
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-20 DOI: 10.1016/j.desal.2025.119667
Shuo Yan, Yuxuan Zhang, Hongfei Guo, Yun Li, Jilin Cao
Magnesium salt products prepared from seawater brine have the problem of low value. In this work, we propose the preparation of high-value hydromagnesite nanosheets flame retardant from seawater brine to provide an environmentally friendly flame-retardant strategy for miniaturized flexible electronic products under high-power operation. By leveraging slow releases of Mg2+ and CO32− during hydrothermal reaction, the precise morphological control of the hydromagnesite nanosheets is achieved, effectively suppressing their aggregation. The synthesized hydromagnesite nanosheets are approximately 2 μm of length and 1 μm of width with the thickness of ca. 40 nm. When incorporated into polyvinyl alcohol (PVA) matrices, these nanosheets spontaneously organize into a hydrogen-bond-mediated “brick and mortar” structure, achieving a remarkable filler loading capacity of 30 wt%. The modified PVA composites demonstrate the superior mechanical properties with the tensile strength increased by 52.20 % and exceptional flame retardancy with the decreased total heat release rate by ca. 50 %, outperforming disordered counterparts in both aspects. The biomimetic “brick and mortar” structure establishes dual protection mechanisms: (1) aligned nanosheets create rapid thermal conduction channels that dissipate heat accumulation, while oriented nanochannels enable efficient transport of CO2/H2O gases generated from filler decomposition to form surface protective barriers; (2) post-combustion MgO within the ordered structure crosslink into continuous isolation layers exhibiting high flame isolation performance. This work presents a method for enhancing the high-value utilization of magnesium resources in seawater brine, while resolves the trade-off effect between high inorganic filler loading and mechanical performance in flame-retardant polymers.
海水卤水制备的镁盐产品存在价值低的问题。本研究提出以海水卤水为原料制备高价值氢菱镁矿纳米片阻燃剂,为微型化柔性电子产品在大功率运行下的环保阻燃提供一种策略。利用水热反应过程中Mg2+和CO32−的缓慢释放,实现了对氢菱镁矿纳米片的精确形态控制,有效地抑制了它们的聚集。合成的氢菱镁矿纳米片长约2 μm,宽约1 μm,厚度约为40 nm。当加入聚乙烯醇(PVA)基质中时,这些纳米片自发地组织成氢键介导的“砖和砂浆”结构,实现了30% wt%的填料负载能力。改性后的PVA复合材料具有优异的力学性能,抗拉强度提高了52.20%,阻燃性能优异,总放热率降低了约50%,在这两个方面都优于无序复合材料。仿生“砖瓦”结构建立了双重保护机制:(1)排列的纳米片创造了快速的热传导通道,消散了热量积累,而定向的纳米通道使填料分解产生的CO2/H2O气体有效运输,形成表面保护屏障;(2)燃烧后有序结构内的氧化镁交联成连续的隔焰层,具有较高的隔焰性能。本文提出了一种提高海水卤水中镁资源高价值利用率的方法,同时解决了阻燃聚合物中无机填料高负荷与力学性能之间的权衡效应。
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引用次数: 0
Boron nitride nanomaterials for inorganic pollutant removal: Fabrication, adsorption performance, and mechanisms 无机污染物去除用氮化硼纳米材料:制备、吸附性能和机理
IF 9.8 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-11-20 DOI: 10.1016/j.desal.2025.119633
HyunSeo Na , Junghoon Mok , Wonjung Choi , Su Hwan Kim , Seokyoon Moon , Sung Ho Chae , Hojung Rho , Seong-Nam Nam , Yeomin Yoon , Byung-Moon Jun
Rapid industrialization and increasing energy demands have accelerated the release of inorganic pollutants, posing severe threats to ecosystems and human health. Although various water-treatment technologies have been explored, many suffer from high costs, sludge generation, and limited effectiveness in complex water matrices. Among these, adsorption has emerged as a promising approach because of its simplicity, rapid kinetics, high selectivity, and reusability. This review presents a comprehensive evaluation of hexagonal boron nitride (BN) as an advanced adsorbent for the removal of inorganic contaminants. First, diverse fabrication methods and functionalization strategies are summarized to highlight how structural and chemical modifications enhance the adsorption performance. The adsorption capacities of the BN-based materials for general heavy metals, radioactive elements, and redox-sensitive species were compared and analyzed. Mechanistic insights are discussed in terms of surface complexation, electrostatic attraction, ion exchange, and redox reactions, with an assessment of regeneration and long-term reusability. Ultimately, future perspectives highlight the importance of integrating computational modeling and machine learning for predictive design, enhancing selectivity in multicomponent systems, validating the large-scale applicability, and ensuring techno-economic perspectives. Overall, this review summarizes the current progress in BN-based adsorbents and provides guidance for their development as sustainable solutions for the remediation of inorganic pollutants.
快速工业化和不断增长的能源需求加速了无机污染物的释放,对生态系统和人类健康构成严重威胁。尽管已经探索了各种水处理技术,但许多技术都存在成本高、产生污泥和在复杂水基质中的效果有限的问题。其中,吸附法因其简单、快速、高选择性和可重复使用而成为一种很有前途的方法。本文综述了六方氮化硼作为一种去除无机污染物的高级吸附剂的综合评价。首先,总结了不同的制备方法和功能化策略,重点介绍了结构和化学修饰如何提高吸附性能。比较分析了bn基材料对一般重金属、放射性元素和氧化还原敏感物质的吸附能力。从表面络合、静电吸引、离子交换和氧化还原反应等方面讨论了机理,并对再生和长期可重用性进行了评估。最终,未来的观点强调了将计算建模和机器学习集成到预测设计中的重要性,增强了多组件系统的选择性,验证了大规模的适用性,并确保了技术经济观点。综上所述,本文综述了目前bn基吸附剂的研究进展,并对其作为无机污染物的可持续修复解决方案的发展提供了指导。
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