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Birch-Bark-Inspired Synergistic Fabrication of High-Performance Cellulosic Materials. 桦木条启发的高性能纤维素材料协同制造。
Pub Date : 2024-11-13 eCollection Date: 2024-12-26 DOI: 10.1021/acssusresmgt.4c00266
Abdolrahim A Rafi, Luca Deiana, Rana Alimohammadzadeh, Per Engstrand, Thomas Granfeldt, Staffan K Nyström, Armando Cordova

There is a growing demand for the utilization of sustainable materials, such as cellulose-based alternatives, over fossil-based materials. However, the inherent drawbacks of cellulosic materials, such as extremely low wet strength and resistance to moisture, need significant improvements. Moreover, several of the commercially available wet-strength chemicals and hydrophobic agents for cellulosic material treatment are toxic or fossil-based (e.g., epichlorohydrin and fluorocarbons). Herein, we present an eco-friendly, high-yield, industrially relevant, and scalable method inspired by birch bark for fabricating hydrophobic and strong cellulosic materials. This was accomplished by combining simple surface modification of cellulosic fibers in water using colloidal particles of betulin, an abundant triterpene extracted from birch bark, with sustainable chemical engineering (e.g., lignin modification and hot-pressing). This led to a transformative process that not only altered the morphology of the cellulosic materials into a more dense and compact structure but also made them hydrophobic (contact angles of up to >130°) with the betulin particles undergoing polymorphic transformations from prismatic crystals (betulin III) to orthorhombic whiskers (betulin I). Significant synergistic effects are observed, resulting in a remarkable increase in wet strength (>1400%) of the produced hydrophobic cellulosic materials.

使用可持续材料的需求越来越大,例如纤维素基替代品,而不是化石基材料。然而,纤维素材料的固有缺点,如极低的湿强度和抗湿性,需要显著改进。此外,一些用于纤维素材料处理的市售湿强化学品和疏水剂是有毒的或化石基的(例如,环氧氯丙烷和氟碳化合物)。在此,我们提出了一种环保,高产,工业相关,可扩展的方法,灵感来自桦树皮,用于制造疏水和强纤维素材料。这是通过使用从桦树皮中提取的丰富的三萜白桦素胶体颗粒在水中对纤维素纤维进行简单的表面改性,并结合可持续的化学工程(例如木质素改性和热压)来实现的。这导致了一个转变过程,不仅改变了纤维素材料的形态,使其结构更致密、更紧凑,而且使其疏水(接触角高达>130°),桦木素颗粒经历了从棱柱状晶体(桦木素III)到正交晶须(桦木素I)的多晶化转变。使所制疏水纤维素材料的湿强度显著提高(>1400%)。
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引用次数: 0
Birch-Bark-Inspired Synergistic Fabrication of High-Performance Cellulosic Materials
Pub Date : 2024-11-12 DOI: 10.1021/acssusresmgt.4c0026610.1021/acssusresmgt.4c00266
Abdolrahim A. Rafi, Luca Deiana, Rana Alimohammadzadeh, Per Engstrand, Thomas Granfeldt, Staffan K. Nyström and Armando Cordova*, 

There is a growing demand for the utilization of sustainable materials, such as cellulose-based alternatives, over fossil-based materials. However, the inherent drawbacks of cellulosic materials, such as extremely low wet strength and resistance to moisture, need significant improvements. Moreover, several of the commercially available wet-strength chemicals and hydrophobic agents for cellulosic material treatment are toxic or fossil-based (e.g., epichlorohydrin and fluorocarbons). Herein, we present an eco-friendly, high-yield, industrially relevant, and scalable method inspired by birch bark for fabricating hydrophobic and strong cellulosic materials. This was accomplished by combining simple surface modification of cellulosic fibers in water using colloidal particles of betulin, an abundant triterpene extracted from birch bark, with sustainable chemical engineering (e.g., lignin modification and hot-pressing). This led to a transformative process that not only altered the morphology of the cellulosic materials into a more dense and compact structure but also made them hydrophobic (contact angles of up to >130°) with the betulin particles undergoing polymorphic transformations from prismatic crystals (betulin III) to orthorhombic whiskers (betulin I). Significant synergistic effects are observed, resulting in a remarkable increase in wet strength (>1400%) of the produced hydrophobic cellulosic materials.

This study presents a sustainable approach for dramatically enhancing the wet-strength and hydrophobicity of cellulosic materials by the synergistic combination of water-based betulin treatment, chemical modification, and hot-pressing.

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引用次数: 0
The Use of Grape Pomace as Soil Fertilizer: A Microcosm Study on Available C and N and Consequences for Microbial Biomass, Structure, and Catabolic Responses 使用葡萄渣作为土壤肥料:关于可用碳和氮及其对微生物生物量、结构和分解反应的影响的微观世界研究
Pub Date : 2024-11-12 DOI: 10.1021/acssusresmgt.4c0027310.1021/acssusresmgt.4c00273
Sven Korz, Shamima Parvin, Humberto Aponte, Christian Buchmann, Dörte Diehl and Katherine Muñoz*, 

Grape pomace (GP) is used as a fertilizer in viticulture due to its carbon (C) and nitrogen (N) richness. Its application follows as biologically treated (i.e., vermicompost) or as untreated (fresh), with different nutritional inputs for the soil. But constraints exist regarding the amount and mobility of nutrients as a function of the soil type and the short-term effects on the soil microbiota. In a 6 week microcosm study, we analyzed the C and N dynamics in two agricultural soils (loamy sand and silt loam) after fresh red or white GP application. Microbial responses including biomass, respiration, and ecophysiological indices were recorded at the end of the experiment. White GP increased the available C (dissolved organic carbon) in the soils compared to the control, with a greater availability in sandy loam compared to silt loam soil. Dissolved (available) N in the treated soils did not differ by GP variety or soil type, but values were lower than those in the controls, suggesting a rapid N assimilation. Red GP in the sandy loam soils accounted for the highest total phenolic content (TPC) compared to the white GP. Independently of the GP variety or treatment, values reached control levels after 6 weeks. In the GP treated soils, microbial C/N ratios were narrower compared to the controls. The ergosterol to microbial carbon ratio indicated a higher fungal fraction in the GP treated soils; in particular, in the sandy loam soil, that fits with the availability of nutrients in the respective soils. The GP treatment increased the ratios MBC:TC (microbial C:total C) and MBN:TN (microbial N:total N), independently of the GP variety but with larger ratios in the silt loam soil, indicative of nutrient immobilization. qCO2 metabolic quotients were, in general, higher in the GP treated soils compared to the controls, with the highest values in sandy loam and red GP. The highest substrate utilization (respiration) rate was observed in the silty sandy soil, attributed mainly to the microbial biomass fraction compared to the sandy loam soil. But the functional diversity was not affected by the soil or by the GP treatment. We observed significant correlations between single chemical parameters and microbial indices apart from qCO2, suggesting that the response of the microbiome is multifactorial but driven mainly by the composition of the GP and by the availability of nutrients which in turn depends on the soil properties. This study enables a broader understanding on the consequences of the application of fresh GP varieties in soils with different properties, which is necessary for calculations of optimal nutritional inputs.

葡萄渣(GP)因富含碳(C)和氮(N)而被用作葡萄栽培的肥料。葡萄渣可以通过生物处理(即蚯蚓堆肥)或未经处理(新鲜)的方式施用,为土壤提供不同的营养。但养分的数量和流动性因土壤类型和对土壤微生物群的短期影响而受到限制。在一项为期 6 周的微观世界研究中,我们分析了两种农用土壤(壤土和粉砂质壤土)在施用新鲜红芝麻或白芝麻后的碳和氮的动态变化。实验结束时记录了微生物的反应,包括生物量、呼吸作用和生态生理指数。与对照组相比,白色 GP 增加了土壤中的可利用碳(溶解有机碳),与淤泥质壤土相比,砂质壤土中的可利用碳更多。经处理的土壤中的溶解(可用)氮不因 GP 品种或土壤类型而异,但数值低于对照组,这表明氮的同化速度很快。与白色 GP 相比,沙壤土中红色 GP 的总酚含量(TPC)最高。无论 GP 品种或处理方法如何,其值在 6 周后都达到了对照组的水平。在经过 GP 处理的土壤中,微生物的 C/N 比值比对照组要小。麦角甾醇与微生物碳的比率表明,GP 处理过的土壤中真菌的比例较高,特别是在沙质壤土中,这与相应土壤中的养分供应情况相吻合。GP 处理增加了 MBC:TC(微生物碳:总碳)和 MBN:TN(微生物氮:总氮)比率,这与 GP 品种无关,但在淤泥质壤土中比率较大,表明养分固定化。与砂质壤土相比,淤泥质砂质土壤中的基质利用(呼吸)率最高,这主要归因于微生物的生物量部分。但功能多样性不受土壤或 GP 处理的影响。除 qCO2 外,我们还观察到单一化学参数与微生物指数之间存在明显的相关性,这表明微生物组的反应是多因素的,但主要受 GP 组成和养分供应的驱动,而养分供应又取决于土壤特性。这项研究使人们能够更广泛地了解在不同性质的土壤中施用新鲜 GP 品种的后果,这对于计算最佳营养投入是必要的。
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引用次数: 0
Assessing of Biowaste Whey Protein as Films for Biodegradable Electronics and Packaging Applications 评估生物废弃物乳清蛋白作为薄膜在可生物降解电子产品和包装中的应用
Pub Date : 2024-11-12 DOI: 10.1021/acssusresmgt.4c0034710.1021/acssusresmgt.4c00347
Carmen R Tubio*, Ander Garcia, Xabier Valle, Miriam Pinto, Susana Virgel, Josu Martinez-Perdiguero, Joana Moreira and Senentxu Lanceros-Mendez, 

Conversion and utilization of biowaste from the agriculture sector into useful value-added products have been of increasing interest in recent years. Special emphasis has been placed on the use of biowaste whey protein (WP) in packaging applications. In this study, WP from cheese production waste was investigated as potential material for developing films in combination with a synthetic water-soluble biopolymer poly(vinyl alcohol) (PVA) at WP contents ranging from 25 to 50 wt %. Morphology, structure, surface contact angle, and mechanical characteristics were evaluated to assess the relationship between blend composition and materials properties. WP content plays a significant role in determining the morphology of the films, with a high WP content leading to a less compact film. It leads to strong variations in the mechanical properties. The results of the electrical properties demonstrated that the electrical conductivity increases from 1.77 × 10–11 S/cm for neat PVA to 2.06 × 10–10 S/cm for the sample with 50 wt % WP, which is accompanied by variations in dielectric constant from 19.5 to 38 at 1 Hz, respectively. In addition, the presence of WP results in a low antibacterial activity, with the maximum bacterial growth inhibition for Staphylococcus aureus (22.2%) and Escherichia coli (11.5%) being obtained for PVA neat films. Finally, the degradation test revealed that after 146 days PVA neat reached 100% degradation in soil, while the sample with 50 wt % WP was only 47% degraded. Overall, the findings of this study contribute to advance toward the development of polymer blends from biowaste with tailorable characteristics for biodegradable electronic and packaging applications.

近年来,将农业部门产生的生物废料转化和利用为有用的增值产品越来越受到关注。生物废料乳清蛋白(WP)在包装中的应用受到了特别关注。在这项研究中,研究人员将奶酪生产废料中的乳清蛋白与合成水溶性生物聚合物聚乙烯醇(PVA)结合起来,在乳清蛋白含量为 25 至 50 wt % 的情况下,将其作为开发薄膜的潜在材料。对形态、结构、表面接触角和机械特性进行了评估,以评估混合成分与材料特性之间的关系。可湿性粉末含量在决定薄膜形态方面起着重要作用,可湿性粉末含量越高,薄膜的致密性越差。可湿性粉末的含量越高,薄膜的致密性越差,从而导致机械性能的强烈变化。电学特性结果表明,导电率从纯 PVA 的 1.77 × 10-11 S/cm 上升到含有 50 wt % WP 的样品的 2.06 × 10-10 S/cm,同时介电常数在 1 Hz 时分别从 19.5 到 38 变化。此外,可湿性粉剂的存在导致抗菌活性较低,对金黄色葡萄球菌(22.2%)和大肠杆菌(11.5%)的最大细菌生长抑制是在纯 PVA 薄膜中获得的。最后,降解测试表明,146 天后,纯 PVA 在土壤中的降解率达到 100%,而含有 50 wt % WP 的样品降解率仅为 47%。总之,这项研究的结果有助于从生物废弃物中开发出具有可定制特性的聚合物混合物,用于可生物降解的电子和包装应用。
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引用次数: 0
Synthesis of Re-Processable Polyurea Thermosets from CO2-Based Oligourea and Formaldehyde 利用二氧化碳基低聚脲和甲醛合成可再加工的聚脲热固性塑料
Pub Date : 2024-11-08 DOI: 10.1021/acssusresmgt.4c0037010.1021/acssusresmgt.4c00370
Wenhan Huang, Hui Li, Fengyu Zhao* and Haiyang Cheng*, 

The synthesis of functional polymer materials from CO2, an abundant and cheap feedstock, is of great significance from the viewpoint of green and sustainable development. Using CO2 as monomer to produce functional polymeric materials can reduce not only fossil consumption but also CO2 emissions. Herein, we designed a re-processable polyurea thermoset from formaldehyde and CO2-based oligourea, which is an amino-terminated oligomer derived from CO2 and 4,7,10-trioxa-1,13-tridecanediamine. The CO2-based oligourea reacted with formaldehyde to form polyurea hemiaminal networks (PHNs) with a hemiaminal structure and reversible hydrogen bonds. PHNs are of good mechanical properties due to their intermolecular hydrogen bonds and cross-linked structure. Moreover, the reversible non-covalent hydrogen bonds and hemiaminal structure in the chains enabled PHNs to be re-processable. The synthesized polyurea thermoset can be hot-molded, the tensile strength is about 20 MPa, and the elongation at break is about 20% of the original sample. In addition, the tensile strength and toughness can be nearly recovered after hot-reprocessed for 6 cycles. This is the first report of the re-processable thermosetting polyurea from CO2 designed by hydrogen bonds and hemiaminal cross-linking structure.

从绿色和可持续发展的角度来看,利用二氧化碳这种丰富而廉价的原料合成功能性聚合物材料具有重要意义。以二氧化碳为单体生产功能性聚合物材料不仅可以减少化石消耗,还能减少二氧化碳排放。在此,我们利用甲醛和二氧化碳基低聚脲设计了一种可再加工的聚脲热固性材料,低聚脲是一种由二氧化碳和 4,7,10-三氧杂-1,13-十三烷二胺衍生的氨基端低聚物。二氧化碳基低聚脲与甲醛反应生成具有半氨基结构和可逆氢键的聚脲半氨基网络(PHNs)。由于具有分子间氢键和交联结构,PHN 具有良好的机械性能。此外,PHNs 分子链中的可逆非共价氢键和半氨基结构使其具有可再加工性。合成的聚脲热固性材料可以热成型,拉伸强度约为 20 兆帕,断裂伸长率约为原始样品的 20%。此外,热再加工 6 次后,拉伸强度和韧性几乎可以恢复。这是首次报道利用氢键和半膜交联结构设计的二氧化碳可再加工热固性聚脲。
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引用次数: 0
Valorization of Pineapple Waste for Extraction and Purification of Bromelain Enzyme 菠萝废料在提取和纯化菠萝蛋白酶中的应用
Pub Date : 2024-11-05 DOI: 10.1021/acssusresmgt.4c0028310.1021/acssusresmgt.4c00283
Varunraj Gharge, Sahil Ghutake and Hitesh Pawar*, 

Bromelain is a potential proteolytic enzyme present in various parts of pineapple, having industrial importance with a wide range of applications. Present study focused on extraction, isolation, and purification of bromelain from pineapple peels waste as a feedstock. The proximate analysis of pineapple peel waste depicts the presence of about 7% protein in pineapple peel waste. Thus, several commercially available buffers were explored for the extraction of bromelain from pineapple peel. Of the tested buffers, sodium phosphate buffer showed the highest bromelain activity (0.75 CDU/mL) and protein concentration (0.160 mg/mL). The process intensification study is conducted to achieve maximum bromelain activity and maximum protein concentration. The optimized process provided maximum bromelain activity as 1.24 CDU/mL and maximum protein concentration of 0.130 mg/mL. The combination of ultrafiltration and adsorptive chromatographic purification was used to concentrate bromelain and to remove color components, respectively. It provides an increase in bromelain activity by 2.24-fold and protein concentration by 1.37 folds. Thus, the present study provides an efficient strategy for valorization of pineapple peel waste through extraction and purification of bromelain as a potential product.

菠萝蛋白酶是一种潜在的蛋白水解酶,存在于菠萝的各个部位,具有广泛的工业用途。本研究的重点是从作为原料的菠萝皮废料中提取、分离和纯化菠萝蛋白酶。菠萝皮废料的近似分析表明,菠萝皮废料中含有约 7% 的蛋白质。因此,我们研究了几种市售缓冲液,用于从菠萝皮中提取菠萝蛋白酶。在测试的缓冲液中,磷酸钠缓冲液显示出最高的菠萝蛋白酶活性(0.75 CDU/mL)和蛋白质浓度(0.160 mg/mL)。为了获得最高的菠萝蛋白酶活性和最高的蛋白质浓度,进行了工艺强化研究。优化后的工艺可获得最高的菠萝蛋白酶活性(1.24 CDU/mL)和最高的蛋白质浓度(0.130 mg/mL)。超滤和吸附色谱纯化相结合,分别用于浓缩菠萝蛋白酶和去除色素成分。它使菠萝蛋白酶活性提高了 2.24 倍,蛋白质浓度提高了 1.37 倍。因此,本研究通过提取和纯化菠萝蛋白酶作为一种潜在的产品,为菠萝皮废弃物的增值提供了一种有效的策略。
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引用次数: 0
Harnessing Urban Infrastructure to Monitor Antimicrobial Resistance 利用城市基础设施监测抗菌药耐药性
Pub Date : 2024-11-05 DOI: 10.1021/acssusresmgt.4c0036910.1021/acssusresmgt.4c00369
Anqi Sun, Changyi Lu, Qian Xiang and Qing-Lin Chen*, 
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引用次数: 0
Subcritical Water Extraction of Allelochemical Compounds from Mucuna Beans 亚临界水萃取毛豆中的 Allelochemical 化合物
Pub Date : 2024-10-31 DOI: 10.1021/acssusresmgt.4c0026210.1021/acssusresmgt.4c00262
Djéssica T. Raspe, Oscar O. Santos Jr., Camila da Silva* and Lúcio Cardozo-Filho, 

This work aims to obtain allelochemical compounds from mucuna beans by applying subcritical water extraction (SWE). The influence of the water flow rate (solvent to beans ratio), temperature, and static time applied during extraction was evaluated in the removal of compounds of interest, with pressure fixed at 10 MPa. The application of water flow of 1 mL min–1 (22.5 mL g–1) provided greater removal of L-Dopa and total phenolic compounds (TPC). The temperature (120 °C) increased the extraction of L-Dopa, TPC, and total flavonoids (TF), providing greater antioxidant activity (AA). Furthermore, 20 min of static time preceding dynamic extraction promoted a percentage increase of ∼41.2% and ∼61.5% in the extraction of L-Dopa and TPC, respectively. In the profiled compounds, phenolic acids, flavonoids, and anthocyanins were the phytochemicals identified. The extract obtained under ideal conditions allowed a mass yield of ∼58.1 wt %, with active potential evaluated by levels of L-Dopa, TPC, and TF, as well as AA, validating the high antioxidant activity and suggesting allelopathic potential of the extract.

This study explores the obtaining of phytochemical compounds such as phenolic, flavonoids, and L-Dopa, which promote antioxidant activity with bioherbicidal potential from mucuna beans, through an extractive process using water under subcritical conditions.

这项研究旨在通过亚临界水萃取(SWE)从粘豆中获取等位化学化合物。在压力固定为 10 兆帕的条件下,评估了萃取过程中水流速度(溶剂与豆类的比率)、温度和静置时间对去除相关化合物的影响。水流量为 1 mL min-1 (22.5 mL g-1)时,左旋多巴和总酚类化合物(TPC)的去除率更高。温度(120 °C)提高了左旋多巴、总酚化合物和总黄酮(TF)的萃取率,从而提高了抗氧化活性(AA)。此外,在动态萃取前静置 20 分钟可使左旋多巴和 TPC 的萃取率分别提高 41.2% 和 61.5%。在分析的化合物中,酚酸、类黄酮和花青素是已鉴定的植物化学物质。本研究探讨了在亚临界条件下用水萃取法从粘豆中提取酚类、黄酮类和左旋多巴等植物化学物质的方法。
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引用次数: 0
Efficient Separation of Tritiated Water from Light Water Based on Membrane Distillation by Gas–Liquid Exchange 基于气液交换膜蒸馏技术从淡水中高效分离三态水
Pub Date : 2024-10-31 DOI: 10.1021/acssusresmgt.4c0030510.1021/acssusresmgt.4c00305
Hirokazu Miyoshi*,  and , Masahiro Fujiwara*, 

The removal of tritiated water (HTO) from “ALPS-treated water” originating from the disabled Fukushima Daiichi Nuclear Power Plant (FDNPP) is an important environmental issue. In this paper, we report a new method of separating HTO from light water (H2O) based on membrane distillation by gas–liquid exchange. HTO-containing water loaded on a hydrophobic membrane modified with a photothermal black dye was exposed to artificial sunlight. The heat generated from the dye upon sunlight exposure vaporized the water, with the HTO-containing water vapor penetrating through the membrane. The permeated HTO-containing water vapor was mixed with H2O added to hydrophilic filters under the membrane. Gas–liquid exchange occurred in these filters and significantly decreased the percentage of HTO in the water collected under all filters. The increases in both the filter number and H2O content in the hydrophilic filters increased the efficiency of HTO separation. When four hydrophilic filters containing H2O and four hydrophobic filters were set alternately, the ratio of HTO collected under these filters decreased to 12 ± 0.3%. This process was also effective for the removal of 137Cs from 137Cs-containing water.

从废弃的福岛第一核电站(FDNPP)的 "ALPS 处理水 "中去除三价水(HTO)是一个重要的环境问题。本文报告了一种基于气液交换膜蒸馏技术从轻水(H2O)中分离 HTO 的新方法。含 HTO 的水负载在用光热黑色染料改性的疏水膜上,暴露在人造太阳光下。阳光照射时染料产生的热量使水汽化,含 HTO 的水蒸气透过膜。渗透后的含 HTO 水蒸气与膜下亲水过滤器中的 H2O 混合。在这些过滤器中进行了气液交换,大大降低了在所有过滤器下收集的水中的 HTO 百分比。亲水过滤器中过滤器数量和 H2O 含量的增加提高了 HTO 的分离效率。当四个含 H2O 的亲水过滤器和四个疏水过滤器交替设置时,在这些过滤器下收集到的 HTO 比例下降到 12 ± 0.3%。这一过程对于从含 137Cs 的水中去除 137Cs 也很有效。
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引用次数: 0
AI Data-Driven Based In-Depth Interpretation and Inverse Design for Hydrogen Yield from Biogas Direct Reforming 基于人工智能数据驱动的沼气直接转化产氢深度解读与逆向设计
Pub Date : 2024-10-30 DOI: 10.1021/acssusresmgt.4c0022710.1021/acssusresmgt.4c00227
Chuan Ding, Yi Zhang, Beini Lu, Yijing Feng, Wenhan Li, Jianfeng Peng, Hanlin Huang, Zinuo Cheng, Lin Li, Yeqing Li*, Lu Feng, Hongjun Zhou* and Chunming Xu, 

Exploring the intricate mechanism of factors coordinating with each other and optimizing the reaction conditions are critical to improving the performance of the hydrogen yield from biogas direct reforming (HY-B). Due to the lack of mature direct biogas hydrogen production engineering cases in China, the study data were obtained from a self-constructed HY-B unit that lasted for 42 days with a total of 298 data. In this study, an automated machine learning algorithm (AutoGluon) was used to comprehensively predict and analyze the parameters of HY-B. The study found that the optimal first-layer model is neural network (NN), and the optimal second-layer model is WeightedEnsemble. Meanwhile, based on the Shapley additive explanations (SHAP) values, it was demonstrated that the optimal parameter combination was a temperature range of 900–950 °C, pressure range of 0.15–0.3 bar, and water flow rate of around 24 g/h, which could give a distinguished conversion rate of CH4 and hydrogen yield. In addition, the experimental verification showed that the Hydrogen-Seek strategy based on the multiobjective particle swarm optimization (MOPSO) could accurately excavate the best process parameters and optimize the combination of conditions and then result in significant improvements. The optimized data set can improve the yield from 63.45% to 67.69%, compared to the highest hydrogen yield in the previous experiment. Our results show that artificial intelligence algorithms can be successfully implemented to predict and improve HY-B performance, and hopefully provide guidance for the intelligent operation of industrial processes in the future.

探索各因素之间相互协调的复杂机理,优化反应条件,是提高沼气直接转化制氢(HY-B)性能的关键。由于国内缺乏成熟的沼气直接制氢工程案例,本研究数据来源于自建的沼气直接转化制氢装置,该装置历时 42 天,共计 298 个数据。本研究采用自动机器学习算法(AutoGluon)对 HY-B 的参数进行了综合预测和分析。研究发现,最优的第一层模型是神经网络(NN),最优的第二层模型是加权集合(WeightedEnsemble)。同时,根据沙普利加法解释(SHAP)值,证明最佳参数组合为温度范围 900-950 ℃、压力范围 0.15-0.3 bar、水流量约 24 g/h,这样可以获得出色的 CH4 转化率和氢气产量。此外,实验验证表明,基于多目标粒子群优化(MOPSO)的 Hydrogen-Seek 策略可以准确地挖掘出最佳工艺参数并优化条件组合,从而显著提高产量。与之前实验中的最高氢气收率相比,优化后的数据集可将收率从 63.45% 提高到 67.69%。我们的研究结果表明,人工智能算法可以成功用于预测和改善 HY-B 的性能,并有望为未来工业过程的智能操作提供指导。
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