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Converting biomass tar into N-doped biochar: A promising anode material for enhanced sodium-ion batteries
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-19 DOI: 10.1016/j.jaap.2025.107051
Guangxing Wu , Huan Zhang , Xiuqiang Zhang , Qian Guan , Weiwei Zhang , Jia Lu , Weijuan Lan , Zaifeng Li , Shuhua Yang , Hongying Shi
Intensifying fossil fuel crisis has raised significant attention to the utilization of biomass energy, particularly biomass gasification technology, which is pivotal for its large-scale application. However, the generation of biomass tar during gasification remains a major obstacle. Due to the high carbon content of biomass tar and its compositional and property similarities to coal tar and pitch, this study explores the synthesis of nitrogen-doped biochar by combining urea with biomass tar, and evaluates its potential use as an anode material in sodium-ion batteries. The synthesized material, denoted as NT2–1000 (with a urea-to-biomass tar mass ratio of 2:1 and a carbonization temperature of 1000 °C), exhibited a reversible capacity of 257.49 mAh g−1 at a current density of 25 mA g−1, achieving an initial coulombic efficiency of 59.34 %. After 50 cycles at 50 mA g−1, the capacity almost unchanged. At a higher current density of 1000 mA g−1, the material retained 70.33 % of its initial capacity of over 200 cycles (122.6 mAh g−1), demonstrating excellent rate capability and cycling stability, which is desirable for sodium-ion battery anodes. This research presents a novel method for valorizing carbon from biomass tar, thus promoting the high-value use of waste products generated in energy production processes.
化石燃料危机的加剧使生物质能源的利用备受关注,尤其是生物质气化技术,这对于生物质能源的大规模应用至关重要。然而,气化过程中产生的生物质焦油仍然是一个主要障碍。由于生物质焦油含碳量高,且其成分和性质与煤焦油和沥青相似,本研究探讨了通过将尿素与生物质焦油结合合成掺氮生物炭,并评估了其作为钠离子电池阳极材料的潜在用途。合成的材料被命名为 NT2-1000(尿素与生物质焦油的质量比为 2:1,碳化温度为 1000 °C),在电流密度为 25 mA g-1 时显示出 257.49 mAh g-1 的可逆容量,初始库仑效率为 59.34 %。在 50 mA g-1 下循环 50 次后,容量几乎保持不变。在 1000 mA g-1 的较高电流密度下,该材料在超过 200 次循环(122.6 mAh g-1)后仍保持了 70.33% 的初始容量,显示出卓越的速率能力和循环稳定性,这正是钠离子电池阳极所需要的。这项研究提出了一种生物质焦油碳增值的新方法,从而促进了能源生产过程中产生的废品的高值化利用。
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引用次数: 0
Effect of hydrothermal and hydrothermal oxidation pretreatment on the physicochemical properties of biochar pellet and activated carbon prepared from biomass wastes
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-19 DOI: 10.1016/j.jaap.2025.107007
Sen Lang, Shouyu Zhang, Jifan Yang, Yi Zhou, Zihang Xu, Xiuyuan Han, Jiantian Huang
Hydrothermal (HT) pretreatment and hydrothermal oxidation (HTO) pretreatment can change the internal chemical components of biomass wastes to effectively promote the diversified utilization of the biomass resource and upgrade the quality of terminal productions. In this paper, cotton stalk (CS) and Fir wood sawdust (FS) were pretreated firstly at 160–260 °C to prepare the biochar pellets and activated carbon respectively. The effect of evolution behavior of the three components in CS/FS during HT/HTO process on the physicochemical properties of biochar pellets and activated carbon is explored. The results indicate that HT and HTO pretreatment are beneficial to the quality of biochar pellets and activated carbon. Compared with HT pretreatment, HTO process can effectively alleviate the pretreatment intensity of the preparation of high-quality biochar pellets and activated carbon. HTO pretreatment can promotes the significantly decompositions of cellulose and hemicellulose and aromatization growth of CS/FS. The biochar pellets with higher physical properties can be prepared at the HT temperature of 230 °C and at the HTO temperature of 200 °C respectively, and the physical properties of the samples prepared from FS basically higher than CS. Crystalline cellulose is the main contributor to the physical property of biochar pellets. The HHV of biochar pellets prepared from pretreated FS is basically higher than CS, and the cellulose is responsible for the increasing HHV. HT and HTO pretreatment can significantly improve the energy density of CS/FS samples, and the apparent density has the crucial effect on the energy density than HHV. The increasing of cellulose content is conductive to the improvement of combustion performance of biochar pellets, while recondensed lignin in FS prepared by HTO process also has the higher HHV and combustion performance. The total yield of resulted samples was affected by the combination of pretreatment yield and activation yield. Compared with the direct activation, the total yield of pretreated CS activated carbon prepared by HT and HTO pretreatment could up to 166.6 % and 118.4 % respectively, and 189.8 % and 118.9 % for FS samples. CS is the more excellent precursor to prepare high-quality activated carbon than FS. Compared with HT pretreatment, the higher specific surface area and adsorption capacity of resulted activated carbon can be obtained by HTO process, in which the iodine adsorption value of CS-HTO180-A and CS-HTO200-A meet the China standard of activated carbon for water purification (GB/T 13803.2–1999).
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引用次数: 0
In situ and ex situ catalytic microwave pyrolysis of biomass pellets using Ni/Al2O3 for hydrogen and bio-oil production
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-18 DOI: 10.1016/j.jaap.2025.107044
Mahendra Tiwari, Ravikrishnan Vinu
Four different biomass feedstocks, viz., rice straw (RS), sugarcane bagasse (BG), pine wood (PW), and Prosopis juliflora (PJ), were pyrolyzed in a microwave reactor at 800 W- 800 °C, and the hydrogen generation potential was assessed under different conditions using Ni/α-Al2O3 catalyst. Uniquely, four different configurations were evaluated in this study, which include non-catalytic pyrolysis of biomass in powder and pellet forms, and catalytic pyrolysis of biomass pellets in in-situ and ex-situ modes. The hydrogen yield was high in the case of biomass pellets and in the presence of catalyst. The general trend was: (biomass pellets) In-situ > (biomass pellets) Ex-situ > biomass pellets > powder biomass. The heating rates also followed the above trend for all biomass feedstocks. Gas yield increased by 2–10 % with pelletization of biomass, and 18–32 % with the use of catalyst due to efficient cracking of the pyrolysis vapours. The H2:CO (mol/mol) ratio was higher in the case of in-situ pyrolysis mode, and the trend was: BG (1.60) > PW (1.52) > RS (1.32) ≈ PJ (1.31). In-situ catalytic pyrolysis of PW pellets yielded high amount of hydrogen (39 vol%, 27.7 g/kgbiomass). In-situ catalytic pyrolysis mode was effective for higher hydrogen yield due to better contact of the pyrolysates with the Ni catalyst that effectively promoted water gas shift reaction. Ex-situ catalytic pyrolysis of biomass pellets produced high yield of CO+CO2. Detailed bio-oil composition analysis revealed that the selectivity to phenolics in the bio-oil obtained from biomass pellets (64–71 %) was more than that from biomass in powder form (51–61 %). Notably, in-situ catalytic pyrolysis of pellets resulted in a sharp decline in phenolic selectivity (22–45 %) accompanied by increased production of aliphatic oxygenates (38–52 %), and mild increase in aliphatic hydrocarbons. This study proves that microwave-assisted pyrolysis of biomass pellets is a promising strategy for hydrogen generation at high yields with good potential to reform the gases for further enhancement of hydrogen.
在 800 W- 800 °C 的微波反应器中热解了四种不同的生物质原料,即稻草 (RS)、甘蔗渣 (BG)、松木 (PW) 和糙米 (PJ),并使用 Ni/α-Al2O3 催化剂评估了不同条件下的制氢潜力。与众不同的是,本研究评估了四种不同的配置,包括粉末状和颗粒状生物质的非催化热解,以及生物质颗粒的原位和非原位催化热解。在有催化剂存在的情况下,生物质颗粒的产氢量较高。总的趋势是:(生物质颗粒)原位>;(生物质颗粒)非原位>;生物质颗粒>;粉末生物质。所有生物质原料的加热速率也遵循上述趋势。生物质颗粒化后,气体产量增加了 2-10%;使用催化剂后,由于热解蒸汽的高效裂解,气体产量增加了 18-32%。在原位热解模式下,H2:CO(摩尔/摩尔)的比率较高,其趋势如下:BG (1.60) > PW (1.52) > RS (1.32) ≈ PJ (1.31)。原位催化热解 PW 粒子可产生大量氢气(39 vol%,27.7 克/千克生物质)。原位催化热解模式能有效提高氢气产量,这是因为热解产物与镍催化剂的接触更好,能有效促进水气变换反应。生物质颗粒的原位催化热解产生了较高的 CO+CO2 产率。详细的生物油成分分析表明,从生物质颗粒中获得的生物油对酚类化合物的选择性(64-71%)高于从粉末状生物质中获得的生物油对酚类化合物的选择性(51-61%)。值得注意的是,颗粒原位催化热解导致酚类选择性急剧下降(22-45%),同时脂肪族含氧化合物的产量增加(38-52%),脂肪族碳氢化合物的产量轻微增加。这项研究证明,微波辅助生物质颗粒热解是一种前景广阔的高产氢策略,具有对气体进行重整以进一步提高氢气产量的良好潜力。
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引用次数: 0
Water content effect on bituminous pyrolysis product distribution with ReaxFF molecular dynamics and experiment
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-18 DOI: 10.1016/j.jaap.2025.107042
Xin-xiao Lu , Guo-yu Shi , Guan Wang , Shuo Wang , Rui-nan Zhang , Zi-yao Chen
The water atmosphere exerts a profound effect on the coal pyrolysis process. The present study dissects the bituminous pyrolysis product distribution at 0 %-24 % water content and traces the N and S atom migration via the ReaxFF molecular dynamics (MD). The coal mass ratio exhibits a slow-rapid-slow decline as the temperature rises. The coal mass ratio transfers to the pyrolysis heavy tar, light tar, and gas by 2.65 %, 6.46 %, and 16.51 % at 2700 K. The remaining N and S atoms in char are 62.5 % and 43.3 %, and the migrated atoms mainly distribute in the light tar and gas. The N and S atoms tend to remove from the functional group C4H5N and R-S-R. The elevated temperature promotes the conversion from C-N and C-S to H-N and H-S that contributes to more NH3 and H2S. The minimum char and maximum gas mass arise at the 6 % water content with the lowest total bond number. The heavy and light tar mass peak appears at 12 % and 18 % water content. The active radicals OH∙ and H∙ rise at a higher water content. The research achievement has positive practical significance for the pollution control and efficiency improvement of coal pyrolysis.
{"title":"Water content effect on bituminous pyrolysis product distribution with ReaxFF molecular dynamics and experiment","authors":"Xin-xiao Lu ,&nbsp;Guo-yu Shi ,&nbsp;Guan Wang ,&nbsp;Shuo Wang ,&nbsp;Rui-nan Zhang ,&nbsp;Zi-yao Chen","doi":"10.1016/j.jaap.2025.107042","DOIUrl":"10.1016/j.jaap.2025.107042","url":null,"abstract":"<div><div>The water atmosphere exerts a profound effect on the coal pyrolysis process. The present study dissects the bituminous pyrolysis product distribution at 0 %-24 % water content and traces the N and S atom migration via the ReaxFF molecular dynamics (MD). The coal mass ratio exhibits a slow-rapid-slow decline as the temperature rises. The coal mass ratio transfers to the pyrolysis heavy tar, light tar, and gas by 2.65 %, 6.46 %, and 16.51 % at 2700 K. The remaining N and S atoms in char are 62.5 % and 43.3 %, and the migrated atoms mainly distribute in the light tar and gas. The N and S atoms tend to remove from the functional group C<sub>4</sub>H<sub>5</sub>N and R-S-R. The elevated temperature promotes the conversion from C-N and C-S to H-N and H-S that contributes to more NH<sub>3</sub> and H<sub>2</sub>S. The minimum char and maximum gas mass arise at the 6 % water content with the lowest total bond number. The heavy and light tar mass peak appears at 12 % and 18 % water content. The active radicals OH∙ and H∙ rise at a higher water content. The research achievement has positive practical significance for the pollution control and efficiency improvement of coal pyrolysis.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107042"},"PeriodicalIF":5.8,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced hydrodeoxygenation of biomass-derived polyols to light alkanes over boron oxide modified nickel silicate catalysts
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-18 DOI: 10.1016/j.jaap.2025.107043
Xin Jin , Bo Chen , Tao Pan, Lin Liu, Haonan Chen, Changyi Chen, Caiwei Wang, Yuanyuan Ge, Zhili Li
Thermal-catalytic hydrodeoxygenation (HDO) of biomass-derived polyols is a potential route for producing renewable light alkanes, but developing efficient and economical non-precious metal catalysts is still challenging. In this study, a boron oxide moderated layered nickel silicate catalyst Ni-xB2O3/NiSi-PS was designed, and its performance and mechanism in the HDO reaction of C3–C6 polyols were systematically investigated. The characterization results showed that the introduction of B2O3 inhibited the agglomeration of active Ni0, reducing its particle size from 13.8 nm to 7.3 nm and significantly enhancing the Lewis acidity of the catalyst. Under the optimized reaction conditions (300 °C, 5 MPa H2), high light alkane selectivity ranging from 70.1 % to 94.1 % were achieved for various C3–C6 polyols. Through detailed product analysis, the reaction network of polyol HDO was proposed, and the regulatory mechanism of B2O3 was revealed. The catalyst exhibited good stability and reductive regeneration ability, and the activity decreased only slightly after five cycles. This study provides insights into catalyst design for thermal-catalytic conversion processes, which is significant in promoting the sustainable development of the biomass refining industry.
生物质衍生多元醇的热催化加氢脱氧(HDO)是生产可再生轻质烷烃的潜在途径,但开发高效、经济的非贵金属催化剂仍是一项挑战。本研究设计了一种氧化硼缓和层状硅酸镍催化剂 Ni-xB2O3/NiSi-PS 并系统研究了其在 C3-C6 多元醇 HDO 反应中的性能和机理。表征结果表明,B2O3 的引入抑制了活性 Ni0 的团聚,使其粒径从 13.8 nm 减小到 7.3 nm,并显著提高了催化剂的路易斯酸度。在优化的反应条件(300 °C、5 兆帕 H2)下,各种 C3-C6 多元醇的轻烷烃选择性高达 70.1 % 至 94.1 %。通过详细的产物分析,提出了多元醇 HDO 的反应网络,并揭示了 B2O3 的调控机理。该催化剂具有良好的稳定性和还原再生能力,五个循环后活性仅略有下降。这项研究为热催化转化过程的催化剂设计提供了启示,对促进生物质精炼工业的可持续发展具有重要意义。
{"title":"Enhanced hydrodeoxygenation of biomass-derived polyols to light alkanes over boron oxide modified nickel silicate catalysts","authors":"Xin Jin ,&nbsp;Bo Chen ,&nbsp;Tao Pan,&nbsp;Lin Liu,&nbsp;Haonan Chen,&nbsp;Changyi Chen,&nbsp;Caiwei Wang,&nbsp;Yuanyuan Ge,&nbsp;Zhili Li","doi":"10.1016/j.jaap.2025.107043","DOIUrl":"10.1016/j.jaap.2025.107043","url":null,"abstract":"<div><div>Thermal-catalytic hydrodeoxygenation (HDO) of biomass-derived polyols is a potential route for producing renewable light alkanes, but developing efficient and economical non-precious metal catalysts is still challenging. In this study, a boron oxide moderated layered nickel silicate catalyst Ni-xB<sub>2</sub>O<sub>3</sub>/NiSi-PS was designed, and its performance and mechanism in the HDO reaction of C3–C6 polyols were systematically investigated. The characterization results showed that the introduction of B<sub>2</sub>O<sub>3</sub> inhibited the agglomeration of active Ni<sup>0</sup>, reducing its particle size from 13.8 nm to 7.3 nm and significantly enhancing the Lewis acidity of the catalyst. Under the optimized reaction conditions (300 °C, 5 MPa H<sub>2</sub>), high light alkane selectivity ranging from 70.1 % to 94.1 % were achieved for various C3–C6 polyols. Through detailed product analysis, the reaction network of polyol HDO was proposed, and the regulatory mechanism of B<sub>2</sub>O<sub>3</sub> was revealed. The catalyst exhibited good stability and reductive regeneration ability, and the activity decreased only slightly after five cycles. This study provides insights into catalyst design for thermal-catalytic conversion processes, which is significant in promoting the sustainable development of the biomass refining industry.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107043"},"PeriodicalIF":5.8,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Origin of hydrogen in products derived from catalyzed co-pyrolysis of glucose and polypropylene via deuterium labeling using TG-FTIR
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-18 DOI: 10.1016/j.jaap.2025.106994
Liwei Ma, Jing Weng, Junjie Xue
Catalytic co-pyrolysis of biomass and hydrogen donors is one of the important ways to improve the quality of bio-oil. The hydrogen transfer pathways in co-pyrolysis are significant yet remain vague. In this study, an isotopic labeling method to label glucose (G) with deuterium (D) atoms was used to trace the hydrogen. The results show the catalysts influence the hydrogen transformation significantly and selectively. The shift of the infrared (IR) peaks proves that the hydrogen atoms in products - phenols, alcohols, carboxylic acids, aldehydes, and olefins contain both hydrogen from polypropylene (PP) and deuterium from G. While the hydrogen in aromatic rings, - CH3 and - CH2 all come from polypropylene. Furthermore, the deuterium atoms from G only enter the olefin products with catalyst potassium chloride (KCl) or activated carbon (AC). On the other hand, the oxygenated compound products mainly contain hydrogen atoms from polypropylene with any of the three catalysts. The potassium chloride helps the hydrogen from polypropylene transfer to the products of mainly phenols, aldehydes and alcohols. The AC transfers the hydrogen from polypropylene to the products of carboxylic acid, aldehydes, and phenols. For the ZSM-5, it helps the hydrogen from polypropylene transfer to the products of carboxylic acid and aldehydes. The results of this study are useful for improving the effective hydrogen content of the mixed pyrolysis reaction of biomass.
{"title":"Origin of hydrogen in products derived from catalyzed co-pyrolysis of glucose and polypropylene via deuterium labeling using TG-FTIR","authors":"Liwei Ma,&nbsp;Jing Weng,&nbsp;Junjie Xue","doi":"10.1016/j.jaap.2025.106994","DOIUrl":"10.1016/j.jaap.2025.106994","url":null,"abstract":"<div><div>Catalytic co-pyrolysis of biomass and hydrogen donors is one of the important ways to improve the quality of bio-oil. The hydrogen transfer pathways in co-pyrolysis are significant yet remain vague. In this study, an isotopic labeling method to label glucose (G) with deuterium (D) atoms was used to trace the hydrogen. The results show the catalysts influence the hydrogen transformation significantly and selectively. The shift of the infrared (IR) peaks proves that the hydrogen atoms in products - phenols, alcohols, carboxylic acids, aldehydes, and olefins contain both hydrogen from polypropylene (PP) and deuterium from G. While the hydrogen in aromatic rings, - CH<sub>3</sub> and - CH<sub>2</sub> all come from polypropylene. Furthermore, the deuterium atoms from G only enter the olefin products with catalyst potassium chloride (KCl) or activated carbon (AC). On the other hand, the oxygenated compound products mainly contain hydrogen atoms from polypropylene with any of the three catalysts. The potassium chloride helps the hydrogen from polypropylene transfer to the products of mainly phenols, aldehydes and alcohols. The AC transfers the hydrogen from polypropylene to the products of carboxylic acid, aldehydes, and phenols. For the ZSM-5, it helps the hydrogen from polypropylene transfer to the products of carboxylic acid and aldehydes. The results of this study are useful for improving the effective hydrogen content of the mixed pyrolysis reaction of biomass.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 106994"},"PeriodicalIF":5.8,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
EMI shielding and joule heating applications of woven and nonwoven activated carbon fabrics of Kevlar fibres
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-17 DOI: 10.1016/j.jaap.2025.107041
Kuldip Singh, Vijay Baheti
This study explores the impact of fabric type on electromagnetic interference (EMI) shielding and joule heating performance. Kevlar-based nonwoven and woven activated carbon fabrics were prepared using single-stage carbonization and physical activation method at different carbonization temperatures. Due to their anisotropic and electrically conductive porous fibre networks, nonwoven-based activated carbon fabrics exhibited higher electrical conductivity, EMI shielding, and joule heating properties than the woven structures. It was observed that, at higher carbonization temperatures, both the fabric types showed higher EMI shielding and ohmic heating properties. At 1000 °C, the nonwoven structure displayed EMI shielding effectiveness of 26.9 dB and achieved a surface temperature around 180 °C at a power supply of 5 V. However, woven structure achieved EMI shielding effectiveness of 25.4 dB and surface temperature of 124 °C. Moreover, combined woven and nonwoven structures displayed superior ohmic heating and EMI shielding results compared to individual structures.
{"title":"EMI shielding and joule heating applications of woven and nonwoven activated carbon fabrics of Kevlar fibres","authors":"Kuldip Singh,&nbsp;Vijay Baheti","doi":"10.1016/j.jaap.2025.107041","DOIUrl":"10.1016/j.jaap.2025.107041","url":null,"abstract":"<div><div>This study explores the impact of fabric type on electromagnetic interference (EMI) shielding and joule heating performance. Kevlar-based nonwoven and woven activated carbon fabrics were prepared using single-stage carbonization and physical activation method at different carbonization temperatures. Due to their anisotropic and electrically conductive porous fibre networks, nonwoven-based activated carbon fabrics exhibited higher electrical conductivity, EMI shielding, and joule heating properties than the woven structures. It was observed that, at higher carbonization temperatures, both the fabric types showed higher EMI shielding and ohmic heating properties. At 1000 °C, the nonwoven structure displayed EMI shielding effectiveness of 26.9 dB and achieved a surface temperature around 180 °C at a power supply of 5 V. However, woven structure achieved EMI shielding effectiveness of 25.4 dB and surface temperature of 124 °C. Moreover, combined woven and nonwoven structures displayed superior ohmic heating and EMI shielding results compared to individual structures.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107041"},"PeriodicalIF":5.8,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Numerical investigation of polycyclic aromatic hydrocarbons (PAHs) and soot formation from various coals in a two-stage entrained flow gasifier with detailed chemistry
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-17 DOI: 10.1016/j.jaap.2025.107027
Tailin Li , Kazui Fukumoto , Lijuan Zhang , Yixiong Lin , Cheolyong Choi , Hiroshi Machida , Koyo Norinaga
The substitution of air with O2/CO2 atmosphere is a promising solution for CO2 recirculation during coal gasification. However, a comprehensive understanding on the formation mechanism of PAHs and soot under different conditions is necessary to reduce their emissions. This work presents simulation results of a two-stage entrained flow coal gasifier in a 250 MW industrial-scale plant using detailed chemistry. The influences of reductor temperature (1000–1200 ℃) and coal types (bituminous coal, sub-bituminous coal, and lignite) on PAHs and soot formations from the coal volatiles in the reductor were simulated through a detailed chemical kinetic model under air and O2/CO2 atmospheres. Results show that 2- and 3-ring aromatics are main PAHs products. Rising temperature has inhibitory effects on PAHs formation, especially for lignite. The O2/CO2 condition reduces the PAHs yield compared with the air condition. Rate of production analysis reveals that conversion of major PAHs occurs mainly between PAHs and their radicals. Vinyl-naphthyl radical and indenyl radical play an important role in the acenaphthylene conversion. In addition, soot production increases with a higher temperature under both air and O2/CO2 conditions. The O2/CO2 condition effectively suppressed soot production through a weaker HACA surface growth route than the air condition. lignite produces the least soot, and sub-bituminous coal produces the most. This study deeply reveals the formation mechanisms of PAHs and soot in a two-stage entrained flow gasifier through detailed chemical kinetic modeling, giving an insight into the complex PAHs and soot formations to assess the design and the operating condition of gasifier with O2/CO2 injection.
{"title":"Numerical investigation of polycyclic aromatic hydrocarbons (PAHs) and soot formation from various coals in a two-stage entrained flow gasifier with detailed chemistry","authors":"Tailin Li ,&nbsp;Kazui Fukumoto ,&nbsp;Lijuan Zhang ,&nbsp;Yixiong Lin ,&nbsp;Cheolyong Choi ,&nbsp;Hiroshi Machida ,&nbsp;Koyo Norinaga","doi":"10.1016/j.jaap.2025.107027","DOIUrl":"10.1016/j.jaap.2025.107027","url":null,"abstract":"<div><div>The substitution of air with O<sub>2</sub>/CO<sub>2</sub> atmosphere is a promising solution for CO<sub>2</sub> recirculation during coal gasification. However, a comprehensive understanding on the formation mechanism of PAHs and soot under different conditions is necessary to reduce their emissions. This work presents simulation results of a two-stage entrained flow coal gasifier in a 250 MW industrial-scale plant using detailed chemistry. The influences of reductor temperature (1000–1200 ℃) and coal types (bituminous coal, sub-bituminous coal, and lignite) on PAHs and soot formations from the coal volatiles in the reductor were simulated through a detailed chemical kinetic model under air and O<sub>2</sub>/CO<sub>2</sub> atmospheres. Results show that 2- and 3-ring aromatics are main PAHs products. Rising temperature has inhibitory effects on PAHs formation, especially for lignite. The O<sub>2</sub>/CO<sub>2</sub> condition reduces the PAHs yield compared with the air condition. Rate of production analysis reveals that conversion of major PAHs occurs mainly between PAHs and their radicals. Vinyl-naphthyl radical and indenyl radical play an important role in the acenaphthylene conversion. In addition, soot production increases with a higher temperature under both air and O<sub>2</sub>/CO<sub>2</sub> conditions. The O<sub>2</sub>/CO<sub>2</sub> condition effectively suppressed soot production through a weaker HACA surface growth route than the air condition. lignite produces the least soot, and sub-bituminous coal produces the most. This study deeply reveals the formation mechanisms of PAHs and soot in a two-stage entrained flow gasifier through detailed chemical kinetic modeling, giving an insight into the complex PAHs and soot formations to assess the design and the operating condition of gasifier with O<sub>2</sub>/CO<sub>2</sub> injection.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107027"},"PeriodicalIF":5.8,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pyrolysis behavior of silicone aerogels with different side groups through experimental and ReaxFF MD
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-17 DOI: 10.1016/j.jaap.2025.107038
Mingming Wu , Tianyu Wu , Yi Luo , Mingjun Xu , Bo Niu , Yue Xing , Yayun Zhang , Donghui Long
Silicone materials, widely used as ablation thermal protection materials, have complex degradation mechanisms at ultra-high temperatures that remain poorly understood. In this work, we investigate the pyrolysis behavior of silicone aerogels through experiments and ReaxFF molecular dynamics (ReaxFF MD) simulations, revealing the impact of silicone side groups on their high-temperature stability. The introduction of methyl, vinyl, and phenyl groups through modifying the crosslinker side chains in aerogels, due to their steric hindrance effects and higher bond energies, inhibits the occurrence of cleavage reactions, thereby improving the thermal stability of the material and providing a basis for material design. We obtained kinetic parameters of the pyrolysis process, including activation energy, pre-exponential factor, and reaction mechanism functions, through thermogravimetric analysis, thereby establishing an accurate and reliable decomposition kinetics model. Fast pyrolysis experiments, alongside ReaxFF MD simulations, systematically elucidated the pathways for forming of gaseous, liquid, and solid products during thermal decomposition. Pyrolysis is primarily triggered by the cleavage of Si-C bonds, leading to the cyclization of the Si-O-Si main chain to form cyclic siloxanes. The cleavage of small molecules undergoes a rearrangement reaction, ultimately resulting in the formation of amorphous silica. This study enhances our understanding of the pyrolysis mechanisms of silicone aerogels and provides theoretical insights for improving their thermal stability.
有机硅材料被广泛用作烧蚀热保护材料,但其在超高温下的复杂降解机理仍鲜为人知。在这项工作中,我们通过实验和 ReaxFF 分子动力学(ReaxFF MD)模拟研究了有机硅气凝胶的热解行为,揭示了有机硅侧基对其高温稳定性的影响。通过改变气凝胶中的交联剂侧链引入甲基、乙烯基和苯基基团,由于其立体阻碍效应和较高的键能,可抑制裂解反应的发生,从而提高材料的热稳定性,为材料设计提供依据。我们通过热重分析获得了热解过程的动力学参数,包括活化能、预指数因子和反应机理函数,从而建立了准确可靠的分解动力学模型。快速热解实验和 ReaxFF MD 模拟系统地阐明了热分解过程中形成气态、液态和固态产物的途径。热分解主要由 Si-C 键的裂解引发,导致 Si-O-Si 主链环化,形成环状硅氧烷。小分子的裂解会发生重排反应,最终形成无定形二氧化硅。这项研究加深了我们对有机硅气凝胶热解机理的理解,并为提高其热稳定性提供了理论依据。
{"title":"Pyrolysis behavior of silicone aerogels with different side groups through experimental and ReaxFF MD","authors":"Mingming Wu ,&nbsp;Tianyu Wu ,&nbsp;Yi Luo ,&nbsp;Mingjun Xu ,&nbsp;Bo Niu ,&nbsp;Yue Xing ,&nbsp;Yayun Zhang ,&nbsp;Donghui Long","doi":"10.1016/j.jaap.2025.107038","DOIUrl":"10.1016/j.jaap.2025.107038","url":null,"abstract":"<div><div>Silicone materials, widely used as ablation thermal protection materials, have complex degradation mechanisms at ultra-high temperatures that remain poorly understood. In this work, we investigate the pyrolysis behavior of silicone aerogels through experiments and ReaxFF molecular dynamics (ReaxFF MD) simulations, revealing the impact of silicone side groups on their high-temperature stability. The introduction of methyl, vinyl, and phenyl groups through modifying the crosslinker side chains in aerogels, due to their steric hindrance effects and higher bond energies, inhibits the occurrence of cleavage reactions, thereby improving the thermal stability of the material and providing a basis for material design. We obtained kinetic parameters of the pyrolysis process, including activation energy, pre-exponential factor, and reaction mechanism functions, through thermogravimetric analysis, thereby establishing an accurate and reliable decomposition kinetics model. Fast pyrolysis experiments, alongside ReaxFF MD simulations, systematically elucidated the pathways for forming of gaseous, liquid, and solid products during thermal decomposition. Pyrolysis is primarily triggered by the cleavage of Si-C bonds, leading to the cyclization of the Si-O-Si main chain to form cyclic siloxanes. The cleavage of small molecules undergoes a rearrangement reaction, ultimately resulting in the formation of amorphous silica. This study enhances our understanding of the pyrolysis mechanisms of silicone aerogels and provides theoretical insights for improving their thermal stability.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107038"},"PeriodicalIF":5.8,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive assessment of biochar derived from thermochemical processing of food waste digestate: Properties, preparation factors, and applications
IF 5.8 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-17 DOI: 10.1016/j.jaap.2025.107039
Juan Zhao , Jingxin Zhao , Jian Li , Beibei Yan , Wenzhu Wu , Guanyi Chen , Xiaoqiang Cui , Hongwei Zhang
Food waste digestate (FWD), a by-product of anaerobic digestion (AD), urgently needs to be properly and effectively disposed of. As a viable solution for FWD disposal and utilization, the preparation, formation mechanisms, influencing factors, and diverse applications of biochar (pyrochar and hydrochar) were reviewed. Specifically, the formation of pyrochar relies on precise control of surface area, porosity, and morphology, with optimal preparation conditions including a temperature range of 500–600 ℃, a low heating rate, and a water content below 30 %. In contrast, the properties of hydrochar are primarily influenced by temperature, residence time, and S/L, with ideal conditions being 150–250 ℃, a residence time of approximately 30 minutes, and an S/L between 1:5 and 1:10. For the applications, pyrochar is mainly used as an adsorbent, catalyst, soil amendment, additive in AD, compost and electrode materials due to its exceptional specific surface (SSA) area and porosity, and remarkable water retention capacity. Conversely, hydrochar, characterized by its high HHV and low ash content, finds use as a solid fuel. This study offers valuable insights and strategic guidance for the sustainable management of FWD.
{"title":"Comprehensive assessment of biochar derived from thermochemical processing of food waste digestate: Properties, preparation factors, and applications","authors":"Juan Zhao ,&nbsp;Jingxin Zhao ,&nbsp;Jian Li ,&nbsp;Beibei Yan ,&nbsp;Wenzhu Wu ,&nbsp;Guanyi Chen ,&nbsp;Xiaoqiang Cui ,&nbsp;Hongwei Zhang","doi":"10.1016/j.jaap.2025.107039","DOIUrl":"10.1016/j.jaap.2025.107039","url":null,"abstract":"<div><div>Food waste digestate (FWD), a by-product of anaerobic digestion (AD), urgently needs to be properly and effectively disposed of. As a viable solution for FWD disposal and utilization, the preparation, formation mechanisms, influencing factors, and diverse applications of biochar (pyrochar and hydrochar) were reviewed. Specifically, the formation of pyrochar relies on precise control of surface area, porosity, and morphology, with optimal preparation conditions including a temperature range of 500–600 ℃, a low heating rate, and a water content below 30 %. In contrast, the properties of hydrochar are primarily influenced by temperature, residence time, and S/L, with ideal conditions being 150–250 ℃, a residence time of approximately 30 minutes, and an S/L between 1:5 and 1:10. For the applications, pyrochar is mainly used as an adsorbent, catalyst, soil amendment, additive in AD, compost and electrode materials due to its exceptional specific surface (SSA) area and porosity, and remarkable water retention capacity. Conversely, hydrochar, characterized by its high HHV and low ash content, finds use as a solid fuel. This study offers valuable insights and strategic guidance for the sustainable management of FWD.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"188 ","pages":"Article 107039"},"PeriodicalIF":5.8,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Journal of Analytical and Applied Pyrolysis
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