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Solar enhanced membrane distillation for ammonia recovery 太阳能强化膜蒸馏法回收氨
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100043
Kai Yang , Hongang Du , Mohan Qin

Directly recovering ammonia from waste streams is a sustainable approach for ammonia management since it saves energy from both the Haber-Bosch process, the major industrial method for ammonia synthesis, and wastewater treatment. Membrane distillation (MD), an evaporation-based membrane separation process, has been employed to recover ammonia from ammonia-rich wastewater due to the high volatility of ammonia. In this study, the photothermal effect is incorporated into MD to enhance the ammonia recovery from ammonia-rich wastewater. Carbon black particles are coated on the membrane surface to increase its absorption of solar irradiation at the solution-membrane interface and facilitate the ammonia transport across the membrane. We demonstrate that the system can recover ammonia at a maximum ammonia flux of 4.52 g-N·m−2·h1 with a solar intensity of 1.7 kW·m2. The estimated mass transfer coefficient of carbon black coated membrane is 2.67 × 10−2 m·h1 with solar irradiation, enhanced by 30.8% when compared to that in a pristine membrane. We also confirm that the improvement of ammonia flux by photothermal effect is equivalent to heating the feed solution by 20–30 °C. Our study demonstrates a promising pathway for utilizing solar energy by photothermal effects to enhance MD for ammonia recovery from ammonia-rich wastewater.

从废物流中直接回收氨是一种可持续的氨管理方法,因为它既节省了Haber Bosch工艺(氨合成的主要工业方法)的能源,也节省了废水处理的能源。膜蒸馏(MD)是一种基于蒸发的膜分离工艺,由于氨的高挥发性,已被用于从富含氨的废水中回收氨。在本研究中,将光热效应引入MD中,以提高富氨废水的氨回收率。炭黑颗粒被涂覆在膜表面,以增加其在溶液-膜界面对太阳辐射的吸收,并促进氨在膜上的传输。我们证明,在太阳强度为1.7kW·m−2的情况下,该系统可以在4.52 g-N·m−2.h−1的最大氨通量下回收氨。在太阳辐射下,炭黑涂层膜的传质系数估计为2.67×10−2 m·h−1,与原始膜相比提高了30.8%。我们还证实,光热效应对氨通量的改善相当于将进料溶液加热20–30°C。我们的研究表明,通过光热效应利用太阳能提高MD从富含氨的废水中回收氨是一条很有前途的途径。
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引用次数: 0
Synthesis of thin DD3R zeolite membranes on hollow fibers using gradient-centrifuged seeds for CO2/CH4 separation 用梯度离心种子在中空纤维上合成DD3R沸石薄膜用于CO2/CH4分离
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100038
Yue Zhou , Peng Du , Zhifei Song, Xinfa Zhang, Yu Liu, Yuting Zhang, Xuehong Gu

All-silica DD3R zeolite has been recognized as a promising CO2-selective membrane material owing to its appropriate pore size (0.36 nm × 0.44 nm), strong hydrophobicity, excellent thermal and chemical stabilities. In order to reduce membrane cost, it is meaningful to synthesize thin DD3R zeolite membranes that possess high gas permeance. In this work, high-performance DD3R zeolite membranes were synthesized on TiO2/α-Al2O3 composite hollow fibers by secondary growth method. Sigma-1 zeolite seeds were ball-milled and then fractionated into different-sized seeds by gradient centrifugation. Smaller seed particles were collected after centrifuged at higher rotation speed rate. A very thin and dense DD3R zeolite membrane (thickness: 1.2 µm) was synthesized by using the smallest seeds (ZS4) with average particle size of 163 nm, which were obtained from the supernatant of the third centrifugation at 11,000 rpm. The as-synthesized membranes were employed in separation of equimolar CO2/CH4 mixture. Compared with the original ball-milled seeds (ZS1)-induced membrane, the seed ZS4-induced membrane exhibited an improved CO2 permeance of 1.2 × 10−7 mol m−2 Pa−1 s−1 by 62%. All the resultant membranes performed good CO2/CH4 separation selectivities between 262 and 364.

全硅DD3R沸石因其合适的孔径(0.36nm×0.44nm)、强疏水性、优异的热稳定性和化学稳定性而被认为是一种很有前途的CO2选择性膜材料。为了降低膜的成本,合成具有高透气性的薄DD3R沸石膜是有意义的。本工作采用二次生长法在TiO2/α-Al2O3复合中空纤维上合成了高性能DD3R沸石膜。Sigma-1沸石种子被球磨,然后通过梯度离心分离成不同大小的种子。在以较高转速离心后收集较小的种子颗粒。使用平均粒径为163nm的最小种子(ZS4)合成了非常薄且致密的DD3R沸石膜(厚度:1.2µm),这些种子是在11000rpm下从第三次离心的上清液中获得的。将合成的膜用于等摩尔CO2/CH4混合物的分离。与原始球磨种子(ZS1)诱导的膜相比,种子ZS4诱导的膜表现出1.2×10−7 mol m−2 Pa−1 s−1的CO2渗透率提高了62%。所有得到的膜在262和364之间表现出良好的CO2/CH4分离选择性。
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引用次数: 1
Fabrication of ZIF-8 membranes by direct assembly of nanosheets from bottom-up synthesis growth solution 自底向上合成生长溶液直接组装纳米片制备ZIF-8膜
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100045
Xuekui Duan , Pınar Kaya , Heng-Yu Chi , Berna Topuz , Kumar Varoon Agrawal

Metal-organic frameworks (MOFs) host intrinsically porous structure and rich structural and chemical features. Several MOFs with pore aperture comparable to the size of gas molecules have attracted interest to form the selective layer of membranes. Synthesis of MOFs in nanosheet morphology is highly attractive for this because one can use highly-scalable filter coating to make MOF membranes. However, conventional nanosheet based processing route require several processing steps including centrifugation to prepare a coating dispersion. Herein, we report facile preparation of zeolitic imidazolate frameworks (ZIF) membranes by a straightforward assembly of nanosheets. ZIF-8 nanosheets were obtained by a direct bottom-up synthesis route where crystallization was optimized to obtain large, well-faceted 40-nm-thick nanosheets. Membranes, preferentially oriented along the c-out-of-plane direction, were fabricated by directly filtering the growth solution over a porous polymeric support without any further purification of nanosheets. This also ensures that only a small amount of precursor solution is used minimizing waste. The obtained membranes were compact and free of pinhole defects and yielded H2/C3H8 ideal selectivity over 3000 at 25 °C. We anticipate that this approach can be applied to several MOFs which can be synthesized in nanosheet morphology, advancing the scalability prospects of MOF membranes.

金属有机框架(MOFs)具有固有的多孔结构和丰富的结构和化学特征。几种孔径与气体分子大小相当的MOFs吸引了人们对形成选择性膜层的兴趣。因此,以纳米片形态合成MOFs是非常有吸引力的,因为可以使用高度可扩展的过滤涂层来制造MOF膜。然而,传统的基于纳米片的加工路线需要几个加工步骤,包括离心来制备涂层分散体。在此,我们报道了通过纳米片的直接组装来容易地制备沸石咪唑酸酯骨架(ZIF)膜。ZIF-8纳米片是通过直接自下而上的合成路线获得的,其中结晶被优化以获得大的、具有良好刻面的40nm厚的纳米片。通过在多孔聚合物载体上直接过滤生长溶液而无需对纳米片进行任何进一步纯化,制备了优先沿平面外c方向取向的膜。这也确保了只使用少量的前体溶液,最大限度地减少浪费。所获得的膜紧凑且没有针孔缺陷,并且在25°C下在3000以上产生H2/C3H8的理想选择性。我们预计,这种方法可以应用于几种可以以纳米片形态合成的MOF,从而推进MOF膜的可扩展性前景。
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引用次数: 1
Single‐step polyelectrolyte complex coating on hollow fibers yields nanofiltration or biocatalytic properties 单步聚电解质复合涂层在中空纤维上产生纳滤或生物催化性能
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100039
Maria A. Restrepo , Johannes Kamp , Lasse Guericke , Robin Schnichels , Hannah Roth , Matthias Wessling

The modification of membranes with polyelectrolytes via the Layer-by-Layer (LBL) method has become state of the art in recent years. It is used to fabricate nanofiltration hollow fiber membranes or to immobilize biomolecules on a membrane surface. However, it still remains a time consuming process. In contrast, this work explores a single-step membrane modification with coating solutions containing both polyanions and polycations. High salt concentration in the coating solution suppresses the complexation of the polyelectrolytes prior to the coating. Then, the controlled reduction of the salt concentration during the coating triggers the formation of a polyelectrolyte complex layer on the membrane. Three coating methods are proposed: (1) In interfacial complexation (IC), the polyelectrolyte solution coats the membrane and is subsequently precipitated by flushing with water. (2) Diffusive desalination (DDS) uses the concentration difference between the coating solution in the lumen and a water stream in the shell side to remove salt ions continuously. (3) In polyelectrolyte concentration (PC), the polyelectrolyte solution is coated at a constant flux. Here, the membrane retains the polyelectrolyte while ions permeate through. First, we evaluate the coating methods regarding their ability to produce nanofiltration membranes, which varies depending on the coating method used. With PC, membranes with up to 79% MgCl2 rejection and a permeability of 30 LMH/bar are obtained. Moreover, in-situ functionalization of the membranes is investigated by the addition of enzymes. Here, with DDS enzymes are immobilized, mostly achieved through adsorption via electrostatic interactions.

近年来,通过逐层(LBL)方法用聚电解质改性膜已成为最新技术。它用于制造纳滤中空纤维膜或将生物分子固定在膜表面。然而,这仍然是一个耗时的过程。相反,这项工作探索了用含有聚阴离子和聚阳离子的涂层溶液进行一步膜改性。涂层溶液中的高盐浓度抑制了在涂层之前聚电解质的络合。然后,在涂覆期间盐浓度的受控降低触发在膜上形成聚电解质复合物层。提出了三种涂布方法:(1)在界面络合(IC)中,聚电解质溶液涂布在膜上,然后用水冲洗沉淀。(2) 扩散脱盐(DDS)利用内腔中的涂层溶液和壳侧的水流之间的浓度差来连续去除盐离子。(3) 在聚电解质浓度(PC)中,聚电解质溶液以恒定流量涂布。在这里,当离子渗透通过时,膜保留聚电解质。首先,我们评估了涂层方法生产纳滤膜的能力,这取决于所使用的涂层方法。使用PC,获得了MgCl2截留率高达79%、渗透性为30LMH/bar的膜。此外,通过添加酶来研究膜的原位功能化。在这里,利用DDS,酶被固定化,主要通过静电相互作用的吸附来实现。
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引用次数: 1
Mechanistic insights into the role of nanoparticles towards the enhanced performance of thin-film nanocomposite membranes 纳米颗粒对增强薄膜纳米复合膜性能的作用机理
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100046
Fengxia Yang , Fuyi Cui , Yi Di Yuan , Xin Yu , Dan Zhao

Thin-film nanocomposite (TFN) membranes are promising in improving water treatment due to their high permeability and selectivity. However, little is known about the mechanism by which nanoparticles enhance their performance. In this study, we prepared two series of TFN membranes containing ∼40 nm-sized zeolitic imidazolate framework (ZIF-8) nanoparticles, one with a hydrophobic porous form and the other with a nonporous amorphous form (aZIF-8). The TFN membranes containing 0.15 w/v% ZIF-8 exhibited a 100% increase in water permeance while maintaining a similar NaCl rejection (98.38%) compared to thin-film composite (TFC) membranes used in brackish water reverse osmosis (BWRO). In contrast, adding the same amount of aZIF-8 resulted in almost no water permeance enhancement. By comparing the physicochemical properties of the two materials and the two series of membranes, we found that the only difference was the presence or absence of internal hydrophobic pore structures. We proposed that the hydrophobic internal pores of nanoparticles served as extra water channels while preventing the passage of NaCl during BWRO.

薄膜纳米复合膜(TFN)具有较高的渗透性和选择性,在改善水处理方面具有广阔的应用前景。然而,人们对纳米颗粒增强其性能的机制知之甚少。在这项研究中,我们制备了两个系列的TFN膜,其中包含-40 nm大小的沸石咪唑骨架(ZIF-8)纳米颗粒,一个具有疏水性多孔形式,另一个具有无孔无定形形式(aZIF-8。与用于微咸水反渗透(BWRO)的薄膜复合材料(TFC)膜相比,含有0.15w/v%ZIF-8的TFN膜表现出100%的透水性增加,同时保持类似的NaCl截留率(98.38%)。相反,添加相同量的aZIF-8几乎没有导致透水性增强。通过比较两种材料和两系列膜的物理化学性质,我们发现唯一的区别是内部疏水孔结构的存在或不存在。我们提出,在BWRO过程中,纳米颗粒的疏水性内部孔隙充当额外的水通道,同时防止NaCl通过。
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引用次数: 1
Data-driven future for nanofiltration: Escaping linearity 数据驱动的纳滤未来:逃避线性
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100040
Gergo Ignacz, Aron K. Beke, Gyorgy Szekely

Compared with traditional membrane separation methods such as distillation and chromatography, nanofiltration (NF) affords decreased waste generation and energy consumption. Despite the multiple advantages of NF and materials available for NF membranes, the industrial applicability of this process requires improvement. To address these challenges, we propose four important pillars for the future of membrane materials and process development. These four pillars are digitalization, structure–property analysis, miniaturization, and automation. We fill gaps in the development of NF membranes and processes by fostering the most promising contemporary technologies, e.g., the integration of process analytical technologies and the development of a parallel artificial nanofiltration permeability assay (PANPA) or large online databases. Moreover, we propose the extensive use of density functional theory-aided structure–property relationship methods to understand solute transport process at a molecular level. Realizing an inverse design would allow researchers and industrial scientists to develop custom membranes for specific applications using optimized properties.

与传统的膜分离方法(如蒸馏和色谱)相比,纳滤(NF)减少了废物的产生和能耗。尽管NF和可用于NF膜的材料具有多种优点,但该工艺的工业适用性需要改进。为了应对这些挑战,我们为膜材料和工艺发展的未来提出了四个重要支柱。这四大支柱是数字化、结构-性能分析、小型化和自动化。我们通过培养最有前途的当代技术来填补纳滤膜和工艺开发方面的空白,例如工艺分析技术的集成和并行人工纳滤渗透性测定(PANPA)或大型在线数据库的开发。此外,我们建议广泛使用密度泛函理论辅助的结构-性质关系方法来理解分子水平上的溶质传输过程。实现逆向设计将使研究人员和工业科学家能够利用优化的性能为特定应用开发定制膜。
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引用次数: 3
On the balance between albumin loss and removal of middle molecules in dialyzers 透析器中白蛋白损失与中间分子去除的平衡
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100044
Franziska Hagemann , John Linkhorst , Hannah Roth , Matthias Wessling

Tuning the pore size distribution of hemodialysis membranes is essential for the membrane’s selectivity and significantly affects the quality of the dialysis treatment. Tailoring the membrane’s molecular weight cut-off appropriately balances the removal of middle-molecular-weight uremic toxins while avoiding albumin loss. This undesirable albumin loss is a potential side effect and concern for clinical use when aiming at increased removal of middle molecular weight molecules (middle molecules). It is hypothesized that control of the position of a narrow pore size distribution allows middle molecule removal while simultaneously counteracting the unwanted albumin loss. This study presents a comprehensive ex-vivo methodology and novel data on the balance of the clearance of middle molecules and albumin loss at different blood and dialysate flow rates using novel dialyzers. The outcomes hold significance for dialysis therapy, while the insights acquired have broader implications for the selectivity of ultrafiltration membranes.

The Theranova dialyzer shows the largest clearance for small-middle molecules. Phylther stands out with higher removal of the middle molecule YKL-40 than the other dialyzers but exhibits a significant albumin loss. Theranova demonstrates the best compromise between low albumin loss and good clearances of middle molecules.

调节血液透析膜的孔径分布对膜的选择性至关重要,并显著影响透析治疗的质量。定制膜的分子量截止值可以适当平衡中等分子量尿毒症毒素的去除,同时避免白蛋白损失。当旨在增加中等分子量分子(中间分子)的去除时,这种不希望的白蛋白损失是临床使用的潜在副作用和关注点。假设控制窄孔径分布的位置允许去除中间分子,同时抵消不需要的白蛋白损失。这项研究提供了一种全面的离体方法和新的数据,用于使用新型透析器在不同血液和透析液流速下平衡中间分子的清除和白蛋白损失。这些结果对透析治疗具有重要意义,而获得的见解对超滤膜的选择性具有更广泛的意义。Theranova透析器显示出对中小分子的最大清除率。Phylther比其他透析器对中间分子YKL-40的去除率更高,但表现出显著的白蛋白损失。Theranova证明了低白蛋白损失和中间分子良好清除之间的最佳折衷。
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引用次数: 1
Catalytic effect of trifluoroacetic acid on the CO2 transport properties of organic-inorganic hybrid silica membranes 三氟乙酸对有机-无机杂化二氧化硅膜CO2输运性能的催化作用
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100047
Ikram Rana, Hiroki Nagasawa, Toshinori Tsuru, Masakoto Kanezashi

Developing silica membranes that are highly selective for CO2 has always been a challenge due to the small sizes of the pores and less amount of CO2 philic sites in a typical silica network structure. Herein, we describe the fabrication of silica (tetraethoxysilane) membranes functionalized with 3-aminopropyltriethoxysilyl (APTES) and trifluoroacetic acid (TFA). An interaction generated among primary (NH2) amines and TFA was identified, which was then also revealed by the reversible nature of CO2 adsorption/desorption — an opposite trend from observations when using another catalyst (HCl). The resultant TEOS-APTES (TFA) membranes demonstrated CO2 permeance of 3.8 × 10−7 mol m  2 1 Pa−1 and CO2/N2 selectivity of 35 at 50 ⁰C via the effect of surface diffusion. This is attributed to the increased microporosity and structural variations affected by TFA, which enhanced molecular sieving and controls the CO2-philic sites (-NHCOCF3) via interaction with amines. This novel approach would be effective for the energy-efficient fabrication of highly CO2-permeable membranes.

开发对CO2具有高度选择性的二氧化硅膜一直是一个挑战,因为在典型的二氧化硅网络结构中,孔的尺寸较小,亲CO2位点的数量较少。在此,我们描述了用3-氨基丙基三乙氧基硅烷(APTES)和三氟乙酸(TFA)功能化的二氧化硅(四乙氧基硅烷)膜的制备。发现了伯(NH2)胺和TFA之间产生的相互作用,随后CO2吸附/解吸的可逆性质也揭示了这一点——这与使用另一种催化剂(HCl)时的观察结果相反。所得的TEOS-APTES(TFA)膜在50℃时表现出3.8×10−7 mol m−2 s−1 Pa−1的CO2渗透性和35的CO2/N2选择性⁰C通过表面扩散的作用。这归因于TFA影响的微孔性增加和结构变化,TFA通过与胺的相互作用增强了分子筛分并控制了亲CO2位点(-NHCOCF3)。这种新方法对于高效制造高CO2渗透膜是有效的。
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引用次数: 0
Dual-phase ionic-conducting membranes: Pressure dependence of gas permeation flux 双相离子导电膜:气体渗透通量的压力依赖性
Q1 ENGINEERING, CHEMICAL Pub Date : 2023-05-01 DOI: 10.1016/j.memlet.2023.100041
Jerry Y.S. Lin, Oscar Ovalle-Encinia

Pressure dependence of gas permeation flux for dual-phase ionic-conducting membranes is critical to the design and operation of separation or reaction processes using these membranes. However, literature on dual-phase membranes has mainly focused on temperature, rather than pressure dependence of gas permeation flux. This paper presents a theoretical approach for the development of the pressure dependence of gas permeation flux for dual-phase membranes, demonstrated with CO2 permeation for samarium-doped-ceria (SDC)/molten-carbonate (MC) dual-phase membranes. The paper presents a model showing that gas permeation through dual-phase ionic-conducting membranes is controlled not only by the intrinsic ion (or electronic) conductivity of the materials for each phase, but also by the geometric factor defined as the ratio of the volume to tortuosity of each phase. These geometric factors for both phases are determined by the topological structure of each phase. Dual-phase membranes of the same materials can have very different pressure-dependent flux equations depending on the topological structure dictated by synthesis method and conditions. CO2 permeation through SDC-MC membranes made of SDC with low porosity is controlled by carbonate conduction in the molten carbonate phase, leading to logarithmic CO2 pressure-dependent flux equation. CO2 permeation through SDC-MC membrane of SDC with intermediate porosity is controlled by oxygen ionic conduction in the SDC phase, and the CO2 permeation flux shows power-law dependence on CO2 pressures. The validity of the model is confirmed by comparison of the modeling results with experimental CO2 permeation data for SDC-MC membranes. This work provides a direction for developing pressure-dependent gas permeation flux equations for various dual-phase ionic-conducting membranes.

双相离子导电膜的气体渗透通量的压力依赖性对于使用这些膜的分离或反应过程的设计和操作至关重要。然而,关于双相膜的文献主要关注气体渗透通量的温度依赖性,而不是压力依赖性。本文提出了一种发展双相膜气体渗透通量压力依赖性的理论方法,并以掺钐二氧化铈(SDC)/熔融碳酸盐(MC)双相膜的CO2渗透为例进行了验证。本文提出了一个模型,表明气体通过双相离子导电膜的渗透不仅受各相材料的固有离子(或电子)电导率的控制,还受定义为各相体积与曲折度之比的几何因子的控制。两个相的这些几何因子由每个相的拓扑结构决定。根据合成方法和条件所规定的拓扑结构,相同材料的双相膜可能具有非常不同的压力相关通量方程。CO2通过由低孔隙率SDC制成的SDC-MC膜的渗透由熔融碳酸盐相中的碳酸盐传导控制,从而产生对数CO2压力相关通量方程。具有中等孔隙率的SDC通过SDC-MC膜的CO2渗透受SDC相中氧离子传导的控制,并且CO2渗透通量显示出对CO2压力的幂律依赖性。通过将建模结果与SDC-MC膜的实验CO2渗透数据进行比较,证实了该模型的有效性。这项工作为开发各种双相离子导电膜的压力相关气体渗透通量方程提供了方向。
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引用次数: 0
Can machine learning methods guide gas separation membranes fabrication? 机器学习方法能否指导气体分离膜的制作?
Q1 ENGINEERING, CHEMICAL Pub Date : 2022-11-01 DOI: 10.1016/j.memlet.2022.100033
Arash Tayyebi , Ali S. Alshami , Xue Yu , Edward Kolodka

Transforming a vast array of candidate materials into membranes with suitable morphologies and improved molecular separation performance is an arduous and costly endeavor for membrane scientists. With the advancement made in artificial intelligence and machine-learning in recent years, it is timely to ask: can machine learning methods guide gas separation membranes Fabrication? The answer is “YES”, and this article explains the justifications for this answer by systematically reviewing and analyzing the up-to-date research efforts in the field. This work aimed to explore the potential of ML algorithms as an effective and cost-saving tool in guiding the experimental process of developing the next generation polymeric membranes, and in addressing the critical needs in the field. Findings demonstrate that training Heteropolymers instead of Homopolymers, synthesizing novel polymers by an inverse design approach, and using reliable datasets that are created under the same conditions, are the most crucial factors to achieve the design intent. A path from A to Z for anyone who intends to use ML algorithms in the membranes’ synthesis process is offered. The article concludes with a brief discussion on future development prospects and open issues that are yet to be addressed for ML‐driven polymeric‐based membranes design and optimization.

将大量候选材料转化为具有合适形态和改进分子分离性能的膜对膜科学家来说是一项艰巨而昂贵的努力。随着近年来人工智能和机器学习的进步,机器学习方法能否指导气体分离膜的制造是一个及时的问题。答案是肯定的,本文通过系统地回顾和分析该领域最新的研究成果来解释这一答案的理由。这项工作旨在探索机器学习算法的潜力,作为一种有效和节省成本的工具,指导开发下一代聚合物膜的实验过程,并解决该领域的关键需求。研究结果表明,训练异聚物而不是均聚物,通过反设计方法合成新型聚合物,以及使用在相同条件下创建的可靠数据集,是实现设计意图的最关键因素。为任何打算在膜合成过程中使用ML算法的人提供了从A到Z的路径。文章最后简要讨论了未来的发展前景和尚未解决的ML驱动聚合物基膜设计和优化的开放性问题。
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引用次数: 12
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