JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2026
·
IF 6.7
Yuhang Li,Haifeng Jiang,Jiahao Qi,Junyu Chen,Wenpeng Hong
This study investigated the catalytic pyrolysis of pine sawdust over transition-metal-modified g-C 3 N 4 catalysts (Ni/g-C 3 N 4 , Zn/g-C 3 N 4 , and Co/g-C 3 N 4 ) to enhance phenolic selectivity and elucidate metal–support synergistic effects. Among these catalysts, Co/g-C 3 N 4 exhibited the best performance in enhancing the relative content of phenolic compounds. Compared with non-catalytic pyrolysis at 550 ℃, the phenolic content increased by 24.66%. In addition, the results indicated that a CO 2 atmosphere negatively affected phenolic formation. The temperature-programmed TG-FTIR and evolved-gas analyses revealed that the presence of the Co/g-C 3 N 4 catalyst could promote the formation of CO and limit the generation of CH 4 and C 2 -C 3 hydrocarbons during the catalytic pyrolysis process. The related mechanism analysis showed that the interaction between Co 2 + /Co 3+ species on g-C 3 N 4 and Lewis-basic N sites enabled an interfacial synergistic effect for the selective formation of catechol and methyl-catechol. Furthermore, the exploratory multi-output regression analysis further verified that catalyst type primarily governed phenolic enrichment, whereas temperature mainly influenced syngas formation. Overall, this study provides a deeper understanding of the reaction pathways for the selective generation of phenolic compounds in biomass catalytic pyrolysis, and offers a practical approach for the integration of experimental analysis and data-driven methods.
✓ 已验证
产品关联
DOI
高影响因子
PROGRESS IN REACTION KINETICS AND MECHANISM
·
2026
·Vol. 51
·期 1
·
IF 13.8
Donghua Xu,Haoyu Xiao,Shengwei Feng,Yingquan Chen,Xianhua Wang,Hanping Chen,Haiping Yang
A limited understanding of the pyrolysis mechanisms hinders the efficient thermochemical conversion and recovery of nylon waste. This study investigates the pyrolysis behavior, volatile evolution, and backbone degradation mechanisms of nylon 6/6 by integrating thermogravimetry-Fourier transform infrared spectroscopy-gas chromatography/mass spectrometry (TG-FTIR-GC/MS) and density functional theory (DFT) calculations. According to TG analysis, nylon 6/6 undergoes pyrolysis mainly in the range of 390–515 °C, with a mass loss of 95.86 wt%, and exhibits the most intense degradation at approximately 480 °C. Kinetic analysis using the Coats-Redfern integral and Achar differential methods indicates that nylon 6/6 pyrolysis follows the first-order reaction model with an apparent activation energy of 278 kJ/mol. Online FTIR and offline GC/MS identify the characteristic gaseous products, including CO2, NH3, 1-amino-5-hexene (13.54%), and cyclopentanone (79.64%). Furthermore, DFT calculations elucidate the electrostatic potential (ESP) distribution, Fukui function indices, and bond dissociation energies (BDEs) of the nylon 6/6 model molecule. Results demonstrate that the nucleophilic attack of the terminal amino group and the free radical attack of H· facilitate the cleavage of the amide structure. The generated hexamethylenediamine and adipic acid segments subsequently undergo deamination and cyclization reactions to form 1-amino-5-hexene and cyclopentanone, respectively. By elucidating the backbone degradation mechanisms and product formation pathways during nylon 6/6 pyrolysis, the multi-scale study provides a theoretical basis for the recovery of high-value fuels and chemicals from nylon waste.
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2019
·Vol. 9
·期 15
·8415-8425
·
IF 3.049
Jing Li,Chuanfu Zhang,Ruiming Yin,Wenhai Zhang
In this work, the pyrolysis characteristics of a low-toxic N,N-dimethylacrylamide (DMAA) gel polymer was investigated through nonisothermal thermogravimetry (TG) and TG-FTIR analyses. Moreover, the thermal debinding kinetics of gelcast SiAlON ceramic parts was studied through three different kinetic models: the Coats–Redfern (C–R) method, distributed activation energy model (DAEM) and three-Gaussian-DAEM-reaction model (3-DAEM). The rationality and adaptability of the three models to the thermal debinding kinetics study were analyzed by comparison with experimental data. The results showed that three mass loss zones were observed in the temperature ranges of 100–320 °C, 320–520 °C and 520–600 °C, respectively, and the main pyrolysis gas products were CO2, H2O and CH4. The conversion rate (α) curves calculated by 3-DAEM were more consistent with the experimental values than those calculated with the C–R and DAEM methods. The fitting quality parameter (Fit%) was less than 2.63%, and the reaction rate (dα/dT) curves calculated by 3-DAEM were bimodal distribution curves, which were in good agreement with the experimental results. The kinetic parameters (E0,i, k0,i and σi) of the global thermal debinding process calculated by 3-DAEM were 116.00–145.79 kJ mol−1, 1.10 × 109 s−1 and 1.67–43.25 kJ mol−1, respectively. It is anticipated that the study achievements can be used to help predict the thermal debinding behavior and design a reasonable debinding technology for the gelcasting of ceramic parts.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Zhanshi Ni,Haobo Bi,Chunlong Jiang,Hao Sun,Wenliang Zhou,Zhicong Qiu,Qizhao Lin
Faced with increasingly severe environmental and energy issues, the development and utilization of solid waste have become a trend. In this study, a thermogravimetric-Fourier infrared spectrometer-mass spectrometer (TG-FTIR-MS) was used to carry out the co-pyrolysis experiment of coal slime and cellulose. The samples with mass mixing ratios of 0:10, 1:9, 3:7, 5:5, 7:3, 9:1, and 10:0 were pyrolyzed in N 2 atmosphere. The percentages of mass loss during the pyrolysis of coal slime and cellulose were 15.69 and 94.28%, respectively. The addition of cellulose to the coal slime could significantly improve the pyrolysis performance of the sample. It was detected by FTIR that the pyrolysis of the blends mainly formed C=O-containing compounds. MS was used to monitor the ion current intensity of gaseous products of sample pyrolysis online. The average activation energy of the reaction between coal slime and cellulose calculated by the Kissinger-Akahira-Sunose method were 237.59 kJ/mol and 174.06 kJ/mol, respectively. The principal component 1 and principal component 2 dominated the co-pyrolysis process of coal slime and cellulose. The MAE, RMSE, and R 2 of the artificial neural network prediction model for predicting the pyrolysis process of the sample were 0.5249, 0.8244, and 0.9994, respectively. This research provided basic theory and data support for understanding the co-pyrolysis of coal slime and biomass.
研究领域:
能源化学
·
环境科学
·
热化学转化
·
可再生能源
·
固体废物利用
✓ 已验证
DOI
高影响因子
FUEL
·
2021
·
IF 6.609
Jiu Chen,Bin Li,Cheng-Yang Cao,Si-Yuan Zhou,Li-Feng Xie,Dan Zhang
As a novel rich nitrogen content material, 5-Amino-1 H -Tetrazole (5AT) has been considerably popularized in the propellants area recently. The pyrolysis is deemed as the prelude of combustion for solid phase 5AT, which plays a crucial role in combustion process and grasping the pyrolysis characteristics will be more beneficial to further explore the combustion properties of 5AT-based propellant. In this paper, several efforts have been made to enhance the pyrolysis behaviors of 5AT, including employing metal particles as catalysts, and modifying the surface treatment method. Due to the calorific value, the boron and copper powder are selected as the potential catalysts. The solvent/non-solvent (S/NS) and solution recrystallization method are compared to explore the impact of these two modification methods. TG-FTIR technique is applied to capture evolved signals of organic compounds to further deduce the most probable decomposition pathway. Moreover, model-free and model-fitting methods are both employed to calculate the kinetic parameters. The results reveal that, for the modified 5AT samples with the same boron powder catalyst, the activation energies and reaction model (all governed by F4) in the initial stage (100–330 °C) are not significantly impacted by these two modification methods. However, during the latter stages (400–750 °C), the catalytic actions of boron powder appear to be more active, and solution recrystallization method exerts better modification effect, the activation energies was reduced 18.3 kJ/mol and 10.9 kJ/mol respectively for the latter stages compared to S/SN method. Also, the reaction model is transformed from n th -dimensional model (D3) to n th -order model (F1) in the third stage. Particularly, the catalytic actions of copper powder results in the simplification of decomposition steps for 5AT, the activation energies was 138.8 kJ/mol and the catalytic effect of which was improved about 25% compared to the catalytic effect of boron powder in the first stage and its reaction model is also found to be changed into F3. It illustrates that copper powder could embody a better catalytic effect than boron powder under the same modification method. The conclusions of this study could provide a worthwhile guidance for the understanding, designs and applications of the 5AT-based propellants.
研究领域:
化学工程
·
材料科学
·
燃烧科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2025
·
IF 6.2
Donghua Xu,Yibing Wei,Haoyu Xiao,Tengyue Zhang,Zichun Sheng,Haiping Yang,Yingquan Chen,Xianhua Wang,Hanping Chen
Pyrolysis mechanisms of nitrogen (N)-containing plastics hold significant importance for recovering high-value fuels and chemicals from real plastic waste, whereas current insights remain unclear. This work systematically investigated the pyrolysis behaviors, volatile release characteristics, and backbone decomposition mechanisms of polyamide 6 (PA6), thermoplastic polyurethane (TPU), and polyacrylonitrile (PAN) through integrating TG-FTIR-GC/MS and density functional theory (DFT). Kinetic analysis based on Coats-Redfern and Achar methods suggested a higher average activation energy of PA6 (228 kJ/mol) compared to TPU (94 kJ/mol) and PAN (189 kJ/mol). PA6 pyrolysis predominantly produced c aprolactam (92.01 %) at 481 °C through the nucleophilic attack of terminal amino group on adjacent amide structure, forming a four-membered transition state with a free energy barrier of 217.0 kJ/mol. Owing to the lower bond dissociation energies (BDEs) of the acyloxy bonds in urethane groups compared to the alkoxy bonds in polyester structures, the hard and soft segments of TPU occurred sequential cracking at 358 and 448 °C, releasing 4,4’-diphenylmethane diisocyanate (85.12 %) and cyclopentanone (69.12 %), respectively. PAN backbone preferentially cleaved at mid-chain C-C bonds with lower BDEs, forming acrylonitrile dimer and monomer fragments, which coupled with each other and combined with hydrogen radicals to generate abundant NH 3 and fatty nitriles like 2-methylglutaronitrile, 1,3,6-hexanetricarbonitrile, and acrylonitrile. These findings elucidated the intrinsic connection between pyrolysis volatile evolution and backbone degradation mechanisms of N-containing plastics at the molecular level, thereby offering theoretical guidance for optimizing the pyrolysis process of real plastic waste to prepare high-value products.
✓ 已验证
产品关联
DOI
高影响因子
ENERGY
·
2022
·
IF 8.857
Zhanshi Ni,Haobo Bi,Chunlong Jiang,Hao Sun,Wenliang Zhou,Zhicong Qiu,Liqun He,Qizhao Lin
Confronted with the shortage of fossil energy, the large inventory and the serious pollution of industrial solid waste, the development of clean and efficient industrial solid waste disposal methods have become a trend. In this study, Thermogravimetric-Fourier transform infrared spectrometry was utilized to carry out the co-pyrolysis experiment of coal slime and lignin. Pyrolysis experiments were carried out following 7 different mass mixing ratios. The initial pyrolysis temperatures of CS, S9G1, S7G3, S5G5, S3G7, S1G9, and LIG were 414.5, 373.3, 287.6, 233.3, 225.8, 218.6, and 209.6 °C, respectively. By observing the evolution of the gaseous products of the sample pyrolysis, the results showed that the gaseous products mainly include hydrocarbons, aldehydes, ethers, and alcohols. The ratio of lignin in the mixture was changed, and the interaction between the sample particles was different. The principal component analysis method provided helps to understand the mechanism of co-pyrolysis of coal slime and lignin. The relative error of the established artificial neural network prediction was less than 2.5%. This paper comprehensively analyzed the interaction and gas evolution law during the co-pyrolysis of coal slime and lignin.
研究领域:
能源与燃料
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2024
·Vol. 14
·期 12
·8204-8213
·
IF 3.9
Fangli Li,Ziqin Huang,Changjiang Liu,Meini Yang,Jixiang Wu,Wenhui Rao,Chuanbai Yu
Currently, additively efficient flame retardants are being developed to enhance the smoke suppression, flame retardancy, and thermal properties of composite materials. To this end, the current study designed and prepared a novel P/N/Si/Zn-containing organic–inorganic hybrid denoted as APHZ. Its inorganic part was 2-methylimidazole zinc salt (ZIF-8), which improved its smoke suppression and catalytic carbonization. The organic part (P/N/Si-containing compound) promoted its flame retardancy and interfacial compatibility between APHZ and epoxy resin (EP). The test results revealed that EP/APHZ-3 composites achieved a V-0 rating and a notable LOI value of 30.7% when introducing 3 wt% APHZ into the EP matrix. Cone calorimetry tests (CCT) further demonstrated that the average heat release rate (av-HRR), total smoke production (TSP), and CO production (COP) of EP/APHZ-3 were reduced by 23.3%, 14.0%, and 21.1%, respectively. Meanwhile, the char residual was increased by 60.6%, as compared to pure EP. Furthermore, the flame-retardant mechanism of EP/APHZ composites was investigated by the XPS, TG-FTIR, and Raman spectroscopy techniques. The observed synergistic effect of the imidazole skeleton ZIF-8 and P/N/Si-containing compound in APHZ facilitated the generation of a dense multi-element char layer, with the condensed phase flame-retardant mechanism playing a dominant role. These findings contribute to developing and designing high-performance flame-retardant EP.
研究领域:
材料科学
·
化学工程
·
高分子科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
POLYMER DEGRADATION AND STABILITY
·
2019
·
IF 3.78
Tian Liu,Xingrong Zeng,Xuejun Lai,Hongqiang Li,Yanlin Wang
Organosilicon materials with high capacity of organic-to-inorganic conversion at elevated temperature are always favorable in the field of high-temperature-resistant materials, flame retardant materials, chemical engineering and functional materials in electrical engineering. In this work, it was found out that the platinum-nitrogen catalytic system could obviously enhance the organic-to-inorganic conversion efficiency of silicone rubber (SiR) at elevated temperature. The residual rate of Pt/N/SiR (SiR containing 0.33 phr Karstedt's catalyst (Pt) and 2 phr nitrogenous silane (N)) at 1000 °C was significantly improved from 3.0% to 44.8% in comparison with SiR and its thermal stability was also enhanced. DLS , TEM and UV–vis absorption spectrometry revealed that the platinum in Karstedt's catalyst would aggregate at elevated temperature and deteriorate its catalytic activity for organic-to-inorganic conversion of SiR. And the addition of nitrogenous silane can efficiently inhibit the aggregation and retain the high catalytic efficiency of platinum. A thorough TG-FTIR study, together with SEM/EDX and XPS analyses suggested that the platinum-nitrogen system might suppress the intramolecular cyclic transition and enhance the radical coupling between polymer chains of SiR during thermal degradation , which resulted in the high capacity of organic-to-inorganic conversion of Pt/N/SiR at elevated temperature.
研究领域:
材料科学
·
化学工程
·
电气工程
✓ 已验证
产品关联
DOI
高影响因子
POLYMER DEGRADATION AND STABILITY
·
2022
·
IF 5.204
Xinming Ye,Yu Feng,Panpan Tian,Zhimao Li,Yingchun Li,Wensheng Wang,Jie Li,Liang Qiao,Kun Wang,Wenchao Zhang,Ye-Tang Pan,Rongjie Yang
Despite remarkable advances in developing flame retardants and smoke suppressants for epoxy resin (EP), engineering nitrogen-containing polyhedral oligomeric silsesquioxane (N-POSS) to impart superior fire safety properties to EP has remained an intractable challenge. In this work, two nitrogen-containing polyhedral oligomeric silsesquioxanes (N-POSSs), namely, aminoethyl-aminopropyl-hepta-phenyl polyhedral oligomeric silsesquioxane (AEAP-POSS) and aminopropyl-hepta-phenyl polyhedral oligomeric silsesquioxane (AP-POSS), were synthesized through the “corner-capping” reaction. The molecular structures of N-POSSs were fully characterized by FTIR, 1 H NMR, 29 Si NMR and MALDI-TOF MS, and the synthesized AEAP-POSS and AP-POSS were introduced into EP to solve the shortcomings of flammability. TGA results showed that the incorporation of 4 wt% N-POSS nanoparticles distinctly improved the char residue at 800 °C, which significantly enhanced the thermal stability of the EP composites. When 4 wt% of AP-POSS was introduced into EP, reductions in the peak of heat release rate (p-HRR), fire growth index (FGI), peak of smoke production rate (p-SPR), and the peak of CO production rate (p-COP) reached to 60.6%, 70.2%, 52.3% and 60.4%, respectively. Subsequently, TG-FTIR and XPS were utilized to investigate the flame retardancy and smoke suppression mechanism. Our work presented a considerable advancement for the facile fabrication of flame retardants based on nitrogen-containing polyhedral oligomeric silsesquioxane compounds.
研究领域:
材料科学
·
化学工程
·
高分子科学
·
消防安全工程
✓ 已验证
DOI
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2023
·
IF 3
Yuhan Chen,Nian Yin,Yunfei Wang,Shanjun Gao,Chunhui Shen
A novel bio-based carbon forming agent (Mg@PA-CS) containing P and N elements was were synthesized using the complexation characteristics of chitosan (CS) and phytate (PA). The flame retardant behavior of poly(lactic acid) (PLA)/Mg@PA-CS/APP composites (addition of 20 wt% of different ratios of Mg@PA-CS and APP to polylactic acid composites) were investigated by the limiting oxygen index (LOI), vertical burning test (UL-94), cone calorimetry test (CCT), and thermogravimetric analysis (TGA). Due to the biphasic flame retardant and synergistic effect, since the 20 wt% flame retardant system (Mg@PA-CS:APP = 1:2), PLA composites passed the UL-94 test V-0 rating, reached 34% LOI value. The peak heat release rate (PHRR) and total heat release rate (THR) were reduced to 1/2 of the pure PLA, char residue could be as high as 11.49% at 800°C. Moreover, the flame-retardant mechanism of PLA composites during thermal decomposition was analyzed using a scanning electron microscope (SEM) and the coupling techniques of TGA linked with FT-IR (TG-FTIR).
研究领域:
材料科学
·
高分子科学
·
消防安全工程
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2019
·
IF 8.355
Renjie Chen,Xinyu Huang,Ruizhi Zheng,Delong Xie,Yi Mei,Ruqiang Zou
Organic phase change materials are flammable, which limits their applications in heat storage and conversion. In the presented study, a phosphorus-grafted hexadecanol was blended with pentaerythritol phosphate (PEPA) to prepare flame-retardant phase change material (FRPCM). The thermal properties of FRPCM were evaluated by means of differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and cone calorimetry. The flame-retardant mechanism was examined by thermogravimetric analysis-Fourier transform infrared spectrometry (TG-FTIR) and scanning electron microscopy (SEM) tests. The FRPCM maintains a promising heat storage capacity (186.9 J/g) and thermal stability after grafting and blending. The flame retardance analysis reveals that the grafted phosphorus group helps to promote char formation. PEPA extends the time before exposed combustible material ignites. The cone calorimeter test demonstrated that the peak heat release rate and total heat release are further decreased by more than 50%, owing to the synergistic effect between the phosphorus group and PEPA. The SEM results showed that a porous structure is formed during combustion. Self-extinguishment testing indicates that the FRPCM is extinguished in a much shorter time than is hexadecanol.
研究领域:
材料科学
·
热能工程
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）