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Density functional theory for selecting modifiers for enhanced adsorption of tetracycline in water by biochar 生物炭对水中四环素增强吸附改性剂的密度泛函选择
Pub Date : 2022-12-22 DOI: 10.1007/s42768-022-00125-z
Sayeda Ummeh Masrura, Tauqeer Abbas, Hamed Heidari, Shams Razzak Rothee, Ahsan Javed, Eakalak Khan

Antibiotics and their metabolic byproducts are found in wastewater and natural water as a result of increased consumption, posing a major threat to humans and other living organisms. One of the most promising methods for their removal is adsorption using biochar because it offers excellent adsorption potential and is both affordable and environmentally beneficial. However, raw biochar frequently has a low adsorption capacity due to its limited pore structure and unfavorable surface characteristics. Biochar surface modifications using modifiers such as H3PO4, KOH, and NaOH have improved the surface area and thereby the adsorption capacity. Experimental methods for assessing the effectiveness and adsorption mechanism of modified biochar are costly and time-consuming. Density functional theory (DFT) was used to investigate the interfacial interactions and adsorption mechanism of tetracycline (TC), a widely used antibiotic for personal care and veterinary medication, on unmodified and modified biochar. The DFT calculations showed that the adsorption energy of TC on unmodified and modified biochar is in the following order: KOH-modified biochar (− 2.38 eV)<NaOH-modified biochar (− 2.20 eV)<unmodified biochar (− 1.56 eV)<H3PO4-modified biochar (5.48 eV). The lower adsorption energy is associated with a stronger and more stable interaction between the adsorbent and the contaminant. This suggests that the adsorption of TC on KOH-modified biochar is more prolific and stable compared to the other biochar. This study provides an understanding of the mechanism underlying the adsorption of TC by modified biochar and can be used as a guide to screen for biochar with promising adsorption potential prior to experimental efforts.

Graphical abstract

随着抗生素消费量的增加,在废水和天然水中发现了抗生素及其代谢副产物,对人类和其他生物构成了重大威胁。利用生物炭吸附是最有前途的去除方法之一,因为它具有良好的吸附潜力,而且价格合理且对环境有益。然而,生生物炭由于其有限的孔隙结构和不利的表面特性,往往具有较低的吸附能力。使用H3PO4、KOH和NaOH等改性剂对生物炭进行表面改性,提高了表面积,从而提高了吸附能力。评价改性生物炭的有效性和吸附机理的实验方法既昂贵又耗时。采用密度泛函理论(DFT)研究了四环素(ttc)在未改性和改性生物炭上的界面相互作用及其吸附机理。DFT计算表明,TC在未改性和改性生物炭上的吸附能大小依次为:koh改性生物炭(−2.38 eV)< naoh改性生物炭(−2.20 eV)<未改性生物炭(−1.56 eV)< h3po4改性生物炭(5.48 eV)。较低的吸附能与吸附剂和污染物之间更强、更稳定的相互作用有关。这表明koh改性生物炭对TC的吸附比其他生物炭更加丰富和稳定。本研究揭示了改性生物炭吸附TC的机理,可为筛选具有吸附潜力的生物炭提供指导。图形抽象
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引用次数: 3
Biochar-mediated removal of pharmaceutical compounds from aqueous matrices via adsorption 生物炭介导的通过吸附从水基质中去除药物化合物
Pub Date : 2022-12-16 DOI: 10.1007/s42768-022-00118-y
Sahil Chauhan, Tajamul Shafi, Brajesh Kumar Dubey, Shamik Chowdhury

Pharmaceutical is one of the noteworthy classes of emerging contaminants. These biologically active compounds pose a range of deleterious impacts on human health and the environment. This is attributed to their refractory behavior, poor biodegradability, and pseudopersistent nature. Their large-scale production by pharmaceutical industries and subsequent widespread utilization in hospitals, community health centers, and veterinary facilities, among others, have significantly increased the occurrence of pharmaceutical residues in various environmental compartments. Several technologies are currently being evaluated to eliminate pharmaceutical compounds (PCs) from aqueous environments. Among them, adsorption appears as the most viable treatment option because of its operational simplicity and low cost. Intensive research and development efforts are, therefore, currently underway to develop inexpensive adsorbents for the effective abatement of PCs. Although numerous adsorbents have been investigated for the removal of PCs in recent years, biochar-based adsorbents have garnered tremendous scientific attention to eliminate PCs from aqueous matrices because of their decent specific surface area, tunable surface chemistry, scalable production, and environmentally benign nature. This review, therefore, attempts to provide an overview of the latest progress in the application of biochar for the removal of PCs from wastewater. Additionally, the fundamental knowledge gaps in the domain knowledge are identified and novel strategic research guidelines are laid out to make further advances in this promising approach towards sustainable development.

药物污染是一类值得注意的新兴污染物。这些生物活性化合物对人类健康和环境造成一系列有害影响。这是由于它们的耐火性能,较差的生物降解性和伪持久性。制药工业的大规模生产以及随后在医院、社区卫生中心和兽医设施等的广泛使用,大大增加了各种环境隔间中药物残留的发生率。目前正在评估几种技术,以消除水环境中的药物化合物(PCs)。其中,吸附法因其操作简单、成本低而成为最可行的处理方法。因此,目前正在进行密集的研究和开发工作,以开发廉价的吸附剂,以有效地减少pc。尽管近年来已经研究了许多吸附剂用于去除pc,但生物炭基吸附剂由于其良好的比表面积、可调节的表面化学、可扩展的生产和环境友好的性质,已经获得了巨大的科学关注,以从水性基质中去除pc。本文就生物炭在废水中脱除pc的最新研究进展作一综述。此外,确定了领域知识的基本知识差距,并制定了新的战略研究指导方针,以进一步推进这一有前途的可持续发展方法。
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引用次数: 10
An approach for selection of solid waste treatment and disposal methods based on fuzzy analytical hierarchy process 基于模糊层次分析法的固体废物处理处置方法选择方法
Pub Date : 2022-11-28 DOI: 10.1007/s42768-022-00117-z
Amarjeet Kumar, Atul Sharma, Nekram Rawal

Solid waste management is a severe challenge in India due to massive and rapid growth in waste generation rates, environmental difficulties, and financial constraints for proper treatment. Poorly managed municipal solid waste (MSW) has substantial negative consequences for society, including financial and aesthetic harm, contamination of natural resources, environmental pollution, and severe health danger. Both qualitative and quantitative factors are required to select the appropriate solid waste treatment and disposal technologies. Multi-Criteria decision-making tools helped in analyzing solid waste in terms of qualitative and quantitative factors. In this paper, seven criteria and their sub-criteria are selected for ranking solid waste treatment and disposal technology using fuzzy-analytic hierarchy process. The results showed that composting is the most suitable option for solid waste treatment and disposal technology, followed by refuse-derived fuel. The incineration and sanitary landfills are the least preferred  MSW management alternatives. The sensitivity analysis reveals a high consistency, robustness, and stability level.

固体废物管理在印度是一项严峻的挑战,原因是废物产生率大幅快速增长、环境困难和适当处理的财政限制。管理不善的城市固体废物(MSW)对社会造成了严重的负面影响,包括经济和美学损害、自然资源污染、环境污染和严重的健康危害。选择适当的固体废物处理和处置技术需要定性和定量因素。多准则决策工具有助于在定性和定量因素方面分析固体废物。本文采用模糊层次分析法,选取了7个标准及其子标准对固体废物处理处置技术进行排序。结果表明,堆肥是固体废物处理处置技术的最佳选择,其次是垃圾衍生燃料。焚化和卫生堆填区是最不受欢迎的都市固体废物管理方案。灵敏度分析显示具有较高的一致性、稳健性和稳定性。
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引用次数: 1
Microwave physicochemical activation: an advanced approach to produce activated biochar for palm oil mill effluent treatment 微波物化活化:生产棕榈油厂废水处理用活性生物炭的先进方法
Pub Date : 2022-11-12 DOI: 10.1007/s42768-022-00115-1
Kew Kiong Kong, Peter Nai Yuh Yek, How Sing Sii, Man Djun Lee, Rock Keey Liew, Su Shiung Lam

Empty fruit bunch (EFB) is an industrial waste that is abundantly available in Malaysia. Traditionally, EFBs were burned and dumped on the plantation site, resulting in global warming pollution from methane and carbon dioxide. In this study, the EFB was transformed into a high-surface area of activated biochar through a microwave physicochemical approach involving the combination of steam followed by a hydroxide mixture for palm oil mill effluent (POME) treatment. It was found that BET (Brunauer–Emmett–Teller) surface area and total pore volume of activated biochar were 365.60 m2/g and 0.16 cm3/g, respectively. The surface morphology of activated biochar revealed the formation of well-developed pores that can potentially be used as adsorbents to treat POME. The removal efficiency of biochemical oxygen demand (BOD) and chemical oxygen demand (COD) of POME achieved 75%–55%, respectively. This study offers insight into the transformation of industrial waste into value-added products for sustainable environmental remediation.

空果束(EFB)是一种在马来西亚大量可用的工业废物。传统上,EFBs被焚烧并倾倒在种植园现场,导致甲烷和二氧化碳污染全球变暖。在这项研究中,通过微波物理化学方法将EFB转化为高表面积的活性生物炭,该方法涉及蒸汽和氢氧化物混合物的组合,用于棕榈油厂废水(POME)处理。结果表明,活化生物炭的BET (brunauer - emmet - teller)表面积和总孔体积分别为365.60 m2/g和0.16 cm3/g。活化的生物炭的表面形态表明形成了发育良好的孔隙,可以作为吸附剂用于处理POME。POME对生化需氧量(BOD)和化学需氧量(COD)的去除率分别达到75% ~ 55%。本研究为工业废弃物转化为增值产品的可持续环境修复提供了新的思路。
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引用次数: 1
A comprehensive review of the effects of biochar on soil physicochemical properties and crop productivity 生物炭对土壤理化性质和作物生产力影响的综述
Pub Date : 2022-11-08 DOI: 10.1007/s42768-022-00114-2
Ammal Abukari, James Seutra Kaba, Evans Dawoe, Akwasi Adutwum Abunyewa

Intensive land use has several detrimental effects on land function and imposes an undue burden on the environment. Continuous farming and pollution by heavy metals have negatively influenced many soils. Biochar is now gaining attention as a major research subject in the areas of agriculture, environment, and energy as an eco-friendly soil conditioner. The use of biochar for agricultural and environmental purposes has been widely studied and reviewed. Unfortunately, there are few reviews on biochar structures and other biochar uses. This review presents an overview of current developments in the effects of numerous biochar physicochemical properties and biochar uses, such as utilization as a soil microbial activity, contaminant adsorbent, ion exchange, soil amendment, gas storage and water retention. The physical, chemical and biological properties have been discussed following amendments to the soil and conditions of preparation. However, scientific observation and research are required to identify the negative effects of biochar in preparations and applications. It is envisaged that further in-depth studies of biochar amendment will lead to a deeper understanding of biochar's relationships with soils and that reviews of the negative impacts of biochar could reveal ways in which they might be mitigated.

集约土地利用对土地功能有若干不利影响,并对环境造成不应有的负担。连续耕作和重金属污染对许多土壤产生了负面影响。生物炭作为生态友好型土壤改良剂,正在成为农业、环境、能源领域的重要研究课题。生物炭在农业和环境方面的应用已经得到了广泛的研究和综述。不幸的是,很少有关于生物炭结构和其他生物炭用途的评论。本文综述了生物炭的多种物理化学性质及其在土壤微生物活性、污染物吸附剂、离子交换、土壤改质、储气和保水性等方面的应用。在对土壤和制备条件进行修改后,讨论了其物理、化学和生物特性。然而,需要科学的观察和研究来确定生物炭在制备和应用中的负面影响。据设想,对生物炭修正的进一步深入研究将导致对生物炭与土壤关系的更深入了解,对生物炭负面影响的审查可能揭示减轻这些影响的方法。
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引用次数: 6
Utilization of microwave steam pyrolysis to produce biochar for thermal energy storage 利用微波蒸汽热解生产生物炭用于热能储存
Pub Date : 2022-11-08 DOI: 10.1007/s42768-022-00116-0
Wahap bin Abu Bakar, Peter Nai Yuh Yek, Kah Yein Cheong, Augustine Chioma Affam, Chee Chung Wong, Rock Keey Liew, Yie Hua Tan, Su Shiung Lam

Microwave steam pyrolysis (MSP) is an innovative thermochemical approach to converting biomass into high-quality biochar using steam to improve the dielectric heating of microwave radiation. Biochar shows high fixed carbon and carbon contents at a maximum temperature of 550 °C in 10 min. The MSP achieved a heating rate of 112 °C/min from 200 °C to 400 °C to produce biochar effectively. Furthermore, the thermal properties of biochar in microwave heating were investigated in this study to explore its potential as a microwave heat-absorbent material. Microwave is able to perform volumetric and controllable heating to the biochar. Moreover, biochar shows good microwave heat absorbency, storing and transferring heat effectively. The temperature profile of three different sizes of biochar was investigated to examine the efficiency of biochar in heat absorption from microwave radiation. It was found that the powder form of biochar showed a higher heat transfer rate of 40 °C/min and a low cooling rate of 7.5 °C/min. The presented results are useful for evaluating the application of biochar as a promising medium for heat storage systems.

微波蒸汽热解(MSP)是一种创新的热化学方法,利用蒸汽提高微波辐射的介电加热,将生物质转化为高质量的生物炭。生物炭在最高温度为550°C, 10 min内显示出较高的固定碳和碳含量。MSP在200°C至400°C的加热速率为112°C/min,可以有效地生产生物炭。此外,本研究还研究了生物炭在微波加热下的热性能,以探索其作为微波吸热材料的潜力。微波可以对生物炭进行体积加热和可控加热。此外,生物炭具有良好的微波吸热性能,能有效地储存和传递热量。研究了三种不同尺寸的生物炭的温度分布,考察了生物炭对微波辐射的吸热效率。结果表明,粉末形态的生物炭具有较高的传热速率(40°C/min)和较低的冷却速率(7.5°C/min)。本文的研究结果有助于评价生物炭作为储热系统的一种有前途的介质的应用。
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引用次数: 1
Valorisation of alum sludge to produce green and durable mortar 明矾污泥的增值生产绿色耐用砂浆
Pub Date : 2022-10-15 DOI: 10.1007/s42768-022-00113-3
Qiong Jia, Yan Zhuge, Weiwei Duan, Yue Liu, Jing Yang, Osama Youssf, Jinsuo Lu

Alum sludge is a typical by-product of drinking water treatment processes. Most sludge is disposed of at landfill sites, and such a disposal method may cause significant environmental concern due to its vast amount. This paper assessed the feasibility of reusing sludge as a supplementary cementitious material, which could efficiently exhaust stockpiled sludge. Specifically, the pozzolanic reactivity of sludge at different temperatures, the reaction mechanism of the sludge–cement binder, and the resistance of sludge-derived mortar to microbially induced corrosion were investigated. The obtained results indicated that 800 °C was the optimal calcination temperature for sludge. Mortar containing sludge up to 30% by weight showed comparable physical properties at a curing age of 90 days. Mortar with 10% cement replaced by sludge can significantly improve the resistance to biogenic corrosion due to the formation of Al-bearing phases with high resistance to acidic media, e.g., Ca4Al2O7·xH2O and strätlingite.

Graphical abstract

明矾污泥是饮用水处理过程中的典型副产物。大部分污泥是在堆填区弃置,而这种弃置方法由于其数量庞大,可能会引起严重的环境问题。本文评价了污泥作为补充胶凝材料回用的可行性,该材料可以有效地排除库存污泥。具体而言,研究了污泥在不同温度下的火山灰反应性、污泥-水泥粘结剂的反应机理以及污泥砂浆的抗微生物腐蚀性能。结果表明,污泥的最佳焙烧温度为800℃。含有污泥重量30%的砂浆在养护90天时表现出类似的物理性能。以污泥替代10%水泥的砂浆,由于形成了对Ca4Al2O7·xH2O、strätlingite等酸性介质具有较高耐腐蚀性的含al相,可显著提高砂浆的抗生物腐蚀能力。图形抽象
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引用次数: 8
Novel development of VOx–CeOx–WOx/TiO2 catalyst for low-temperature catalytic oxidation of chloroaromatic organics 低温催化氧化含氯芳香族有机物的VOx-CeOx-WOx /TiO2催化剂的新进展
Pub Date : 2022-10-04 DOI: 10.1007/s42768-022-00108-0
Yunfeng Ma, Jianwen Lai, Jiayao Wu, Xiaoqing Lin, Hong Yu, Hao Zhang, Angjian Wu, Jisheng Long, Xiaodong Li

A novel selective catalytic reduction (SCR) catalyst with high catalytic activity on chloroaromatic organics at lower temperatures (160–180 ℃) is critical for municipal solid waste incineration (MSWI) plants. This study prepares a series of honeycomb-type VOx/TiO2 catalysts and finally develops a new low-temperature catalyst with high catalytic activity in eliminating chloroaromatic organics. Based on the conversion efficiency (CE) of 1,2-dichlorobenzene (1,2-DCB) and CO2 selectivity, the optimal VOx content of 4.06% (in weight) in VOx/TiO2 catalyst is first confirmed. By modifying CeOx and WOx, a novel honeycomb-type catalyst of VOx–CeOx–WOx/TiO2 achieves the highest CE (93.1%–93.6%) and CO2 selectivity (40.9%–60.7%) at 150–200 ℃. It was found that the CeOx and WOx can improve the catalytic activity by enriching the surface content of V and O, increasing the proportion of V5+ and Osurf, enlarging the supply source of reactive oxygen species and their storage capacity, and accelerating the redox cycle of VOx, CeOx, WOx, and reactive oxygen species. This study can guide the development of monolithic low-temperature catalysts with high catalytic activity in eliminating chloroaromatic organics in MSWI flue gas.

一种新型的选择性催化还原(SCR)催化剂在低温(160 ~ 180℃)条件下对氯芳香族有机物具有较高的催化活性,是城市生活垃圾焚烧(MSWI)厂的关键。本研究制备了一系列蜂窝状VOx/TiO2催化剂,最终开发出一种具有高催化活性的新型低温催化剂,用于去除氯芳香族有机物。基于1,2-二氯苯(1,2- dcb)的转化效率(CE)和CO2选择性,首次确定了VOx/TiO2催化剂中VOx的最佳含量为4.06%(重量)。通过对CeOx和WOx进行改性,在150 ~ 200℃下,新型蜂窝状催化剂VOx-CeOx-WOx /TiO2的CE(93.1% ~ 93.6%)和CO2选择性(40.9% ~ 60.7%)最高。研究发现,CeOx和WOx可以通过富集表面V和O的含量,增加V5+和Osurf的比例,扩大活性氧的供应来源和储存容量,加速VOx、CeOx、WOx和活性氧的氧化还原循环来提高催化活性。本研究对开发高效低温整体式催化剂去除城市生活污染烟气中含氯芳烃有机物具有指导意义。
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引用次数: 3
Treatment of wastewater from food waste hydrothermal carbonization via Fenton oxidization combined activated carbon adsorption Fenton氧化联合活性炭吸附法处理餐厨垃圾水热炭化废水
Pub Date : 2022-09-23 DOI: 10.1007/s42768-022-00106-2
Tianchi Shen, Mi Yan, Yuhao Xia, Ruixiong Hu, Yayong Yang, Cheng Chen, Feng Chen, Dwi Hantoko

Hydrothermal carbonization (HTC) of food waste can produce hydrochar for further utilization as high-quality fuel or carbon materials, but the by-product of liquid effluent, named HTC wastewater, has a high chemical oxygen demand (COD) content and other organic pollutants. This study focused on the feasibility of Fenton oxidation combined with activated carbon (AC) to reduce COD in HTC wastewater. The effects of different parameters including pH, dosage of hydrogen peroxide, molar ratio of Fe2+/H2O2, and reaction time were tested and discussed. Eventually, through the optimized Fenton oxidation (pH = 3, H2O2 dosage = 1.5 mol/L, Fe2+/H2O2 = 1:15, reaction time = 60 min) combined optimized AC adsorption process (AC dosage = 30 g/L), the COD value reduced from 42,000 mg/L to 3075 mg/L, indicating a COD removal efficiency of 92.7% and a color removal ratio of 91.9%, respectively. The comparison of GC/MS (gas chromatography mass spectrometer) and FTIR (Fourier transform infrared spectrometer) of liquid residual from different treatment methods also indicated that the types of organic substances in HTC wastewater were significantly reduced through Fenton oxidation and AC adsorption.

食物垃圾的水热碳化(HTC)可以产生碳氢化合物作为优质燃料或碳材料进一步利用,但液体排出物的副产品,称为HTC废水,具有较高的化学需氧量(COD)含量和其他有机污染物。研究了Fenton氧化联合活性炭(AC)降低HTC废水中COD的可行性。考察了pH、双氧水用量、Fe2+/H2O2摩尔比、反应时间等参数对反应的影响。最终,通过优化的Fenton氧化(pH = 3, H2O2投加量= 1.5 mol/L, Fe2+/H2O2 = 1:15,反应时间= 60 min)结合优化的AC吸附工艺(AC投加量= 30 g/L), COD值从4.2万mg/L降至3075 mg/L, COD去除率为92.7%,去色率为91.9%。不同处理方法的液渣GC/MS(气相色谱质谱)和FTIR(傅里叶变换红外光谱仪)对比也表明,通过Fenton氧化和AC吸附,HTC废水中有机物的种类明显减少。
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引用次数: 4
Coal fly ash reinforcement for the property enhancement of crude glycerol-based polyurethane foam composites 粉煤灰增强粗甘油基聚氨酯泡沫复合材料性能的研究
Pub Date : 2022-09-23 DOI: 10.1007/s42768-022-00112-4
Linda Zhang, Weihong Zhang, Mengyu Li, Pan Li, Xiaoyang Zheng, Chun Chang, Weihua Zou

Coal fly ash (CFA) is the main combustion residue of fine ground coal in the process of coal-fired thermal power generation, and crude glycerol (CG) is the byproduct of biodiesel production. The novel polyurethane/CFA (PU/CFA) foam composites were prepared from CFA and CG. Two kinds of CFA, CFAI and CFAII were used as fillers for the property enhancement of PU/CFA composites, and the effects on foaming behavior and the reinforcement for the PU/CFA composites were investigated. It was found that the addition of CFA can prolong the rising time and tack-free time, and the maximum rising time and tack-free time increased to 40 s and 42 s. Meanwhile, the maximum compressive strength of PU/CFAI and PU/CFAII increased to 0.2186 MPa and 0.2284 MPa with the addition of CFA. The thermogravimetric analysis showed that the PU/CFA composites underwent three stages of thermal decomposition, and the amount of carbon residue increased from 23.11% to 67.91% with increasing CFA dosage. Moreover, the values of the limit oxygen index increased from 21.5% to 23.7% with the incorporation of CFA into the PU foam matrix, indicating that CFA improved the thermal stability and flame retardant performance of the composites. This study provided a new method for the recycling and high-value utilization of CG and CFA.

粉煤灰(CFA)是燃煤火力发电过程中细磨煤的主要燃烧残渣,粗甘油(CG)是生产生物柴油的副产物。以CFA和CG为原料制备了新型聚氨酯/CFA (PU/CFA)泡沫复合材料。采用CFAI和CFAI两种CFA作为PU/CFA复合材料的增强填料,研究了其对PU/CFA复合材料发泡性能和增强性能的影响。结果表明,CFA的加入可以延长上升时间和无粘着时间,最大上升时间和无粘着时间分别增加到40 s和42 s。同时,随着CFA的加入,PU/CFAI和PU/CFAI的最大抗压强度分别提高到0.2186 MPa和0.2284 MPa。热重分析表明,PU/CFA复合材料经历了3个阶段的热分解,随着CFA用量的增加,残炭量从23.11%增加到67.91%。此外,在聚氨酯泡沫基体中加入CFA后,极限氧指数从21.5%提高到23.7%,表明CFA提高了复合材料的热稳定性和阻燃性能。本研究为CG和CFA的回收利用和高价值利用提供了新的途径。
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引用次数: 2
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Waste Disposal & Sustainable Energy
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