CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Jiangtao Meng,Benjun Yang,Lei Ren,Fengling Yang,Jingkuan Li,Jing Wang
Understanding nitrogen transformation mechanisms during pyrolysis of protein-rich biomass is crucial for biofuel, chemical production, and emission control. Using representative amino acids (Aspartic acid, Histidine, Leucine, and Phenylalanine) spanning polar/non-polar types, we pyrolyzed them at key temperatures to establish molecular conformation‑nitrogen partitioning relationships. Polar amino acids (aspartic acid and histidine) preferentially formed char-N (20–38 wt%) through bimolecular cross-linking at 750 °C. Conversely, non-polar leucine and phenylalanine enriched nitrogen in the tar phase due to side-chain inertness, which simultaneously hindered nitrogen migration to char. Significantly, steric hindrance governed reaction pathway selectivity. In phenylalanine, for instance, the phenyl ring reduced the cyclization barrier by 54.35 kcal/mol versus straight-chain dehydrogenation, facilitating preferential formation of nitrogen-containing chemicals such as indole and phenylacetonitrile via dehydrogenation/decarboxylation reactions in the primary pyrolysis of phenylalanine and secondary cracking of its tar. This work establishes molecular-level theoretical foundations for targeted synthesis of nitrogenous chemicals and NOx precursor emission control during nitrogen-rich biomass pyrolysis.
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DOI
高影响因子
FUEL
·
2024
·
IF 6.7
Xu Zhao,Fuxin Yang,Zhenghong Li,Houzhang Tan
The emission of polycyclic aromatic hydrocarbons (PAHs) poses a significant risk to the ecological environment. Therefore, it is of great importance to investigate the formation characteristics of PAHs during the coal and biomass utilization. The formation of PAHs is primarily attributed to the incomplete combustion of fuels. In this work, the organic components of raw bituminous coal (BC), wheat straw (WS), and corn straw (CS) were analyzed and the formation characteristics of PAHs were explored using a fixed-bed pyrolysis system. The emission characteristics of particulate matter (PM) and PAHs were investigated in a drop-tube furnace. The results indicate that BC contains a higher proportion of aliphatic hydrocarbons, and the oxygen-containing functional groups of WS and CS are more complex. The content of PAHs in the extracts of raw BC, WS, and CS is 24.16 µg/g, 0.39 µg/g, and 0.41 µg/g, respectively. During the pyrolysis, the PAHs formation characteristics of coal are comparable to biomass. The content of PAHs in pyrolysis gas is significantly higher than that in the char. With the increase of temperature, the PAHs content in pyrolysis gas increases and then decreases, reaching a maximum value at 1000℃. At the low temperatures, the primary source of PAHs is the decomposition of the organic component of fuels. At the high temperatures, the rupture of the basic backbone and the condensation polymerization reaction are the important factors influencing PAHs emissions. The maximum PAHs emissions of BC, WS and CS are 4196.94 µg/g, 4426.78 µg/g, and 5479.50 µg/g, respectively. During the combustion, with the increase of oxygen content, the emissions of PM and PAHs gradually decrease. The proportion of low-ring PAHs increases, while the proportion of high-ring PAHs decreases. Furthermore, PM 1-2.5 accounts for 52.34–84.37 % of total PM emissions. PAHs are more easily enriched in these fine particles with the proportion of 53.71–71.09 % of the total PAHs emissions.
研究领域:
环境科学
·
能源科学
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DOI
高影响因子
FUEL
·
2024
·
IF 6.7
Bang Wu,Xin Guo,Xulinjia Liu
The effect of calcium on the synergy evolution mechanism of Zhundong coal and polyethylene (PE) co-pyrolysis was explored by thermogravimetric (TG), fixed-bed experiments, and the ReaxFF simulation method. The weight loss characteristics of coal and PE pyrolysis, obtained through ReaxFF simulations, exhibited good agreement with TG experimental results. The distribution of coal/PE co-pyrolysis products was examined via fixed-bed fast pyrolysis experiments and Reaxff isothermal pyrolysis simulation. The results reveal that calcium substantially reduces co-pyrolysis tar while simultaneously enhancing co-pyrolysis char and gas to varying extents. Besides, the experimental temperature of 973 K and the simulated temperature of 2600 K yield the highest decrease in co-pyrolysis tar, with reductions of 9.52 % and 14.03 %, respectively. It is discovered that the addition of calcium enhances the synergy degree to 100 % between coal and PE molecules, which means that coal molecules become more firmly attached to PE molecular fragments. Additionally, calcium induces polymerization in co-pyrolysis char, causing the char molecules to become larger and increasing their average molecular weight. Ca-containing tars are rich in aliphatic hydrogens, and synergistic molecules prefer light tars, whereas Ca-free tars have a slightly broader range of aromatic hydrogens, and synergistic molecules favor heavy tars, indicating that the addition of calcium may promote the ring-opening process of coal molecules, releasing more branched-chain hydrogen. In the Ca-free and Ca-containing systems, 24.67 % and 29.51 % of the hydrogen content of the coal molecules migrated toward the co-pyrolysis tar, respectively. The proportion of coal tar fragments decreases while the proportion of PE tar and synergistic tar fragments increases in Ca-containing tar when compared to Ca-free tar, indicating that calcium promotes the polymerization of coal tar molecules with PE tar molecules, which leads to larger char molecules and smaller gas molecules.
研究领域:
能源科学
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化学工程
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DOI
高影响因子
Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Zhaoying Li,Jinfu Lyu,Hao Qi,Daokuan Liang,Xiaofeng Li,Haoxi Ben,Lianghuan Wei,Qirong Yang
The large-scale blooming of Enteromorpha prolifera (EP) results in "green tide," triggering significant environmental issues . However, EP as algal biomass can be converted to syngas through fast pyrolysis . This research investigates the fast pyrolysis of modeled compounds of EP for syngas production . Rhamnose (Rha), glucuronic acid (GlcA), aspartic acid (Asp), glutamic acid (Glu), and alanine (Ala) are used as the model compounds. This study employs experiments and simulations on fast pyrolysis processes . The results reveal that polysaccharide sulfate (PS) undergoes various reactions, including glycosidic bond cleavage, pyran ring opening, dehydration, and C-C bond cleavage. Simultaneously, amino acids experience dehydration, deamination, decarboxylation , and decarboxylation reactions. Fast co-pyrolysis of modeled compounds of EP, the monosaccharides and uronic acid molecules produced by PS pyrolysis also attack each other with amino acid molecules to produce other substances. The pyrolysis gas obtained from the model compounds of PS exhibits the highest CO content. Notably, amino acids possess a superior capability to produce H 2 compared with PS. With the fast co-pyrolysis of EP model compounds, the CO 2 content increases while the CO content decreases. This study provides a theoretical basis for the fast pyrolysis of EP to produce syngas.
研究领域:
环境科学
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能源科学
·
生物化学
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DOI
高影响因子
FUEL
·
2025
·
IF 7.5
Xiaoning Zhang,Buning Chen,Jianwei Wang,Yusheng Zhou,Xueli Huang,He Huang
The high content of heteroatoms and trace metals makes it difficult to upgrade poor-quality oils (PQO). The co-pyrolysis or co-hydrogenation of coal tar (CT)/vacuum residue (VR) is a new approach for the efficient utilization of PQO. The products of CT/VR co-pyrolysis and co-hydrogenation were characterized by RV, TG-FTIR, and GC × GC-TOF. Co-pyrolysis reduces the reaction harshness by lowering the activation energy of pyrolysis. Co-pyrolysis changes the reaction paths of oxygen-containing free radicals by promoting the generation of oxygen-containing organic compounds and inhibiting coke generation by increasing the pyrolysis spillover of unsaturated hydrocarbons. Co-hydrogenation increased the gasoline and diesel yields while reducing coke production. The saturates, aromatics, resins, and asphaltenes of CT and VR experienced a significant increase in the gasoline and diesel fractions after hydrogenation. The gasoline and diesel content enhancement in the four-component hydrogenation products of CT increased with increasing polarity, whereas the opposite trend was observed for the four-component hydrogenation of VR. There was a clear synergistic effect between the aromatics of CT and VR in terms of hydrogenation saturation, while the synergistic effect of the aromatics was somewhat weaker. The saturates and resins had an inhibitory effect on each other.
研究领域:
能源化学
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石油化工
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DOI
高影响因子
COMBUSTION AND FLAME
·
2025
·
IF 6.2
Zhi-Min Wang,Zhi-Hao Zheng,Du Wang,Qing-Bo Zhu,Zhi-Hong Hu,Zhan-Dong Wang,Zhen-Yu Tian
Small esters, including methyl lactate (MELAC) and ethyl lactate (ETLAC), have attracted public attention as potential oxygenated fuel and biodiesel due to their extensive sources, less environmental impacts, and excellent combustion performances. The present work thus set out to perform the pyrolysis study of MELAC with a jet-stirred reactor (JSR) at 1 atm and 690–960 K temperature range. Synchrotron radiation photoionization mass spectrometry (SR-PIMS) was employed to analyse 11 products and intermediates. Based on experimental results and previous work, a kinetic model was developed to predict the MELAC pyrolysis behaviours. The rate-of-production (ROP) and sensitivity analysis at 840 K (57.0 % conversion rate) indicate that the CH 3 OH elimination reaction, MELAC = CH 3 OH + CH 3 COHCO, is the major decomposition pathway of MELAC. Additionally, to explore the influence of the molecular structure, ETLAC pyrolysis experimental data were used to validate the extended model and compared with the newly obtained MELAC pyrolysis results. Despite the structural similarities between the two fuels, their pyrolysis behaviours exhibit significant differences. ETLAC is more reactive than MELAC and generates more C2 intermediates, which indicates that ETLAC could have a stronger soot tendency in the combustion of an engine. Two different thermal decomposition sequences were concluded as MELAC → (CH 3 OH + CH 3 CHOHCO) → (CH 3 CHO + CO) and ETLAC → (C 2 H 4 + LACAC) → (CH 3 CHO + CO + H 2 O), respectively. The findings will be helpful to understand the kinetics of oxygenated fuel and facilitate their applications as biodiesel fuels.
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高影响因子
Journal of Materials Chemistry A
·
2018
·Vol. 6
·期 42
·21178-21185
·
IF 9.931
Hao Chen,Xu Shi,Jianfang Liu,Kecheng Jie,Zihao Zhang,Xiaobing Hu,Yimei Zhu,Xiuyang Lu,Jie Fu,He Huang,Sheng Dai
Zeolite materials play a significant role throughout the oil refining and petrochemical industry. Microporous ZSM-5 has a high degree of crystallinity but low mass transfer, while hierarchical ZSM-5 shows a low degree of crystallinity as well as acidity. In this work, we first report the synthesis of ZSM-5 with a new morphological structure, which has nanocrystalline ZSM-5 particles on the surface of an intact ZSM-5 zeolite. This not only improved the mass transfer in microporosity but also overcame disadvantages of hierarchical ZSM-5 including low degrees of crystallinity and acidity. This new and very efficient structure with both intracrystal microporosity and intercrystal macroporosity, formed by secondary crystallization after the intact ZSM-5 zeolite was synthesized, was verified by transmission electronic microscopy, N2 adsorption and desorption, and X-ray diffraction. The obtained ZSM-5 zeolite showed a uniform size (∼200 nm), high crystallinity acidity, and a suitable hierarchical structure that exhibited excellent properties in the catalytic fast pyrolysis of cellulose to produce aromatics.
研究领域:
化学工程
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材料科学
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能源科学
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DOI
高影响因子
BIORESOURCE TECHNOLOGY
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2025
·
IF 9
Shi Cheng,Cheng Tan,Yong Yu,Jun Huang,Jinlong Du,Jianhang Hu,Hua Wang
Furfural is an essential platform compound for organic chemicals. However, the low selectivity of furfural via fast pyrolysis of biomass hinders the widespread application. Herein, a novel method for preparing furfural-rich bio-oil from waste wood catalyzed by acid-leaching residue (ALR) is reported for the first time. The bio-oil yield reaches 74.87 wt%, and the highest reported furfural yield is 95.41 area% when pyrolyzed with a 1:4 mass ratio of waste wood to ALR at 500 °C. Chlorination of the ALR catalyst surface provides abundant Brønsted acid sites and drastically facilitates the directional selectivity of furfural. The furfural formation mechanism is investigated using monosaccharides as model compounds. The C5 sugars can be converted directly to furfural via dehydration, whereas the C6 sugars require a multistep conversion, producing by-products. This method realizes the reuse of waste wood and ALR, providing a new approach for preparing low-cost furfural.
研究领域:
化学工程
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催化
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生物质转化
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有机化学
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产品关联
DOI
PubMed
高影响因子
Materials Today Communications
·
2025
·
IF 4.5
Dong-hong Nan,Run Zhang,Jia-hao Yu,Qi Niu,Han-cheng Liu,Ji Liu,Kai Li,Qiang Lu
Epoxy resin (ER), renowned for its superior properties, is extensively applied in various engineering materials. However, the growing usage has led to substantial solid waste generation, highlighting the importance of developing ER recycling technologies. In this study, a method was proposed for the selective preparation of high-value-added monophenolic chemicals via the catalytic pyrolysis of ER using activated carbon (AC). The impacts of activation method (steam and KOH activation) in the preparation of AC and pyrolysis conditions (pyrolysis temperature and AC/ER ratio) on the yields and composition distributions of pyrolysis liquid products were thoroughly explored. The results indicated that KOH-activated AC exhibited a high specific surface area and abundant oxygen-containing functional groups, which could catalyze the pyrolysis of ER for the selective production of phenol and 4-isopropylphenol. At a pyrolysis temperature of 450°C and AC/ER ratio of 1, the total yield and selectivity of phenol and 4-isopropylphenol reached 30.09 wt% and 56.98 %, significantly higher than those of 12.00 wt% and 21.53 % obtained from direct pyrolysis of ER. This study provides guidance for achieving resource-efficient, and high-value recycling of ER-based waste.
研究领域:
环境科学
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高分子化学
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材料回收
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催化化学
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废物资源化
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产品关联
DOI
高影响因子
Catalysts
·
2025
·Vol. 15
·期 7
·660
·
IF 4
Jiayou Sun,Tianyang Ding,Xue Zhao,Guorong Xu,Chang Wen,Jie Yu
This study aims to investigate the influence of various metal compounds (ZnO, ZnCl2, Zn(OH)2, MgO, MgCl2, and Mg(OH)2) on the structural and electrochemical properties of chars derived from the pyrolysis of polyvinyl chloride (PVC). Raw PVC samples mixed with different metal compounds were firstly pyrolyzed at 500 °C in a fixed-bed reactor. The produced chars were further pyrolyzed at 800 °C. The objective was to evaluate the impact of these metal compounds on the char structure through comparative analysis. The pyrolytic chars were characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Raman spectroscopy, and Brunauer–Emmett–Teller (BET) analysis. Zinc-based additives notably increased carbon yield to 32–34 wt.%, attributed to ZnCl2-induced cross-linking. Specifically, ZnO facilitated porous architectures and aromatic structures with six or more rings. Mg-based compounds induce the formation of a highly stacked carbon structure primarily composed of crosslinked cyclic alkenes, rather than large polyaromatic domains. Upon further thermal treatment, these aliphatic-rich stacked structures can be progressively transformed into aromatic frameworks through dehydrogenation reactions at elevated temperatures. A high-surface-area porous carbon material (PVC/ZnO-800, SSA = 609.382 m2g−1) was synthesized, demonstrating a specific capacitance of 306 F g−1at 1 A g−1current density.
研究领域:
材料科学
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化学工程
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电化学
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产品关联
DOI
高影响因子
BIOMASS & BIOENERGY
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2025
·
IF 5.8
Dong-hong Nan,Cheng-bo Zhang,Qi Niu,Shi-yu Feng,Bin Hu,Ji Liu,Kai Li,Qiang Lu
Nitrogen-doped activated carbon (NAC) has shown great potential in selectively catalyzing the pyrolysis of biomass to produce alkoxyphenols, with the structural characteristics being key to influencing alkoxyphenol yields. In this study, a method for preparing nitrogen-doped hydrothermal carbon (HY-NAC) by hydrothermal carbonization coupled with ammonia water activation was proposed. The resulting carbon was then used as catalyst in the selective preparation of alkoxyphenols by catalytic pyrolysis of biomass, with the 9,10-dihydroanthracene (DHA) being selected as the hydrogen donor. The physical and chemical properties of HY-NAC were systematically studied. Based on the pyrolysis-gas chromatography/mass spectrometry, the effects of the carbonization method and ammonia concentration during HY-NAC preparation, and the pyrolysis temperature, catalyst/pine ratio, and DHA/pine ratio during the pyrolysis process on the yields of alkoxyphenols were investigated. The results showed that, compared to the activated carbon prepared by pyrolytic carbonization method, HY-NAC had a larger specific surface area, higher nitrogen content, and higher contents of pyridinic nitrogen and pyrrolic nitrogen, thus exhibiting stronger catalytic performance. At an ammonia concentration of 10 %, the specific surface area of HY-NAC was 947.488 m 2 /g, and the relative contents of pyridinic nitrogen and pyrrolic nitrogen were 38.04 % and 33.22 %, respectively. Under pyrolysis temperature of 500 °C, HY-NAC/pine ratio of 3:1, and DHA/pine ratio of 1:1, the alkoxyphenol yield reached the maximum of 7.42 wt%.
研究领域:
催化化学
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生物质转化
·
材料科学
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化学工程
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF THE ENERGY INSTITUTE
·
2025
·
IF 6.2
Haoxin Jiang,Yuyan Zheng,Zhuoya Dong,Hui Ming,Xuqiang Guo,Lihua Cheng,Libo Zhang
The co-pyrolysis of petroleum coke with lignocellulosic biomass components offers a promising route for the high-value utilization of petroleum-refining by-products and sustainable biomass conversion. This study employs coupled Thermogravimetric analysis-Fourier-transform infrared spectroscopy (TGA-FTIR) to systematically examine the co-pyrolysis behaviour and interaction mechanisms between petroleum coke and model lignocellulosic components (cellulose, hemicellulose and lignin) across the temperature range 30–850 °C at heating rates of 5, 10, 15 and 20 °C·min −1 . The results demonstrate that the cellulose–petroleum coke system exhibits optimal volatile-release kinetics at 10 °C·min −1 , with a diffusion coefficient (D = 9.65 × 10 −10 min −2 °C −3 ) and a maximum mass-loss rate (DTG max = −1.47 %·min −1 ). In contrast, the lignin–petroleum coke system shows pronounced synergistic effects at high temperatures (>600 °C), as supported by activation energies of 57.60–84.14 kJ mol −1 and Gibbs free-energy changes (ΔG = 72.23–98.01 kJ mol −1 ), indicating catalytic and flame-retardant potential. Mechanistic insights reveal that lignocellulosic components exert phase-dependent modulation on pyrolysis dynamics, suppressing petroleum-coke hydration, fine-tuning volatile-diffusion kinetics and facilitating graphitization via co-carbonization pathways. These findings provide a scientific basis for the precise engineering of pyrolysis-product characteristics and advance the development of tailored thermochemical conversion strategies.
研究领域:
能源工程
·
化学工程
·
热分析
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可持续能源
·
材料科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）