JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
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2026
·
IF 6.7
Zheng-Zhi Zhang,Zhu-Fei Yang,Ya-Sen Wu,Zhan-Ku Li,Jing-Chong Yan,Wei-Dong Zhang,Zhi-Ping Lei,Shi-Biao Ren,Zhi-Cai Wang,Heng-Fu Shui
The unclear migration mechanism of organic sulfur during coal pyrolysis limits molecular-level understanding, hindering targeted desulfurization and clean utilization of high-sulfur coal. In this study, a "structural simplification" strategy was proposed, in which the thermal dissolution soluble fraction (TDSF) from Duizhen high-sulfur coking coal (DHSC) was employed as the research subject. This TDSF is characterized by its structural homogeneity and ash-free nature, thereby eliminating the interference caused by structural heterogeneity and ash. By combining TG-MS and ReaxFF-MD simulations, the abundant aliphatic structures in TDSF generate a strong "self-hydrogen supply" effect during the pyrolysis process. At 2800 K, the number of C-H bond cleavages in the DHSC/N 2 system is 167, whereas in the TDSF/N 2 system, it reaches as high as 258. The co-hydrogenation experiments of TDSF and DHSC with phenanthrene demonstrated that the hydrogen-donating capacity of TDSF was 1.64 times that of DHSC. The generated active hydrogen radicals selectively attack the C-S bonds in thiophene and sulfoxide, prompting a large amount of sulfur to migrate to the gas and liquid phases. The pyrolysis experiments showed that the sulfur removal rate of TSDF (37.39%) during pyrolysis was significantly higher than that of DHSC (30.08%). It was demonstrated that the desulfurization performance of DHSC can be further enhanced by the use of a hydrogen atmosphere and elevated pyrolysis temperatures. Based on these molecular-level insights, precise desulfurization strategies for high-sulfur coal pyrolysis can be formulated.
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高影响因子
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
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2025
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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.
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 13.2
Jing Li,Maoping Lyu,Junjie Wen,Henghui Deng,Ying Luo,Zehong Chen,Chaoqun Zhang
The development of bio-based epoxy resins with high glass transition temperature ( T g ) and low dielectric constant ( D k ) is critical for replacing petroleum-derived electrical materials and addressing energy sustainability challenges. Herein, a molecularly tailored hexafunctional active ester curing agent (AE6) containing rigid imide and bulky fluorine groups is designed to cure epoxidized plant oils with various epoxy functionality. This molecular architecture endows the curing system with enhanced crosslinking capability and intrinsic low polarity, which are essential for achieving high performance. The systematic investigation of curing kinetics and structure-property relationship reveals that plant oil epoxy functionality governs cross-linked density, enabling precise control over thermo-mechanical and dielectric performance. With an increase of epoxy functionality, the resulting resin achieves superior tensile strength of 42.73 MPa, T g of 99.82 °C, and char yield of 24.67% at 600 °C, attributed to the cooperation of aromatic imide and highly cross-linked network. Additionally, the introduction of bulky fluorine group, imide structure, and abundant non-polar alkyl chains significantly reduces the polarity of the network, yielding an ultralow D k of 2.25. This work establishes a molecular engineering strategy to tailor bio-based epoxy resins for potential applications in electrical materials.
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高影响因子
NanoImpact
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2022
·
IF 6.038
M. Connolly,G. Moles,F. Candotto Carniel,M. Tretiach,G. Caorsi,E. Flahaut,B. Soula,E. Pinelli,L. Gauthier,F. Mouchet,J.M. Navas
Tests using algae and/or cyanobacteria, invertebrates (crustaceans) and fish form the basic elements of an ecotoxicological assessment in a number of regulations, in particular for classification of a substance as hazardous or not to the aquatic environment according to the Globally Harmonised System of Classification and Labelling of Chemicals (GHS-CLP) ( GHS, 2022 ) and the REACH regulation (Registration, Evaluation, Authorisation and Restriction of Chemicals, EC, 2006 ). Standardised test guidelines (TGs) of the Organisation for Economic Co-operation and Development (OECD) are available to address the regulatory relevant endpoints of growth inhibition in algae and cyanobacteria (TG 201), acute toxicity to invertebrates (TG 202), and acute toxicity in fish (TG 203). Applying these existing OECD TGs for testing two dimensional (2D) graphene nanoforms may require more attention, additional considerations and/or adaptations of the protocols, because graphene materials are often problematic to test due to their unique attributes. In this review a critical analysis of all existing studies and approaches to testing used has been performed in order to comment on the current state of the science on testing and the overall ecotoxicity of 2D graphene materials. Focusing on the specific tests and available guidance's, a complete evaluation of aquatic toxicity testing for hazard classification of 2D graphene materials, as well as the use of alternative tests in an integrated approach to testing and assessment, has been made. This information is essential to ensure future assessments generate meaningful data that will fulfil regulatory requirements for the safe use of this “wonder” material.
研究领域:
环境科学
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毒理学
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PubMed
高影响因子
POLYMER DEGRADATION AND STABILITY
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2022
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IF 5.204
Xin Zhang,Jiazi Wu,Jianhui Wei,Zhaolu Qin,Ye-Tang Pan,Xiaolu Wu,Wenchao Zhang,Rongjie Yang
In this study, a biobased vinyl ester resin monomer with Schiff base is prepared from protocatechualdehyde. The monomer is dissolved into styrene to prepare the biobased resin designated as OBTMAR. The resin is perfused into the fiberglass to prepare a fiber-reinforced composite (GFOBTMAR). The commercial vinyl ester resin (VER901) and its fiberglass-reinforced composite (GFVER901) are prepared as the control. T g values of OBTMAR and GFOBTMAR are 219 and 222 °C, respectively, which are far higher than those of VER901 (127 °C) and its composites (131 °C). And there is no separation between the resin and fiberglass for GFOBTMAR due to excellent fiberglass wettability. Cone calorimeter test suggests that GFOBTMAR shows the best flame retardancy and lowest smoke release. The related mechanism of flame retardancy is studied in detail. This work presents an effective strategy for developing fiberglass-reinforced vinyl ester resin composites with high T g , superior flame retardancy and mechanical properties for application.
研究领域:
材料科学
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化学工程
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高影响因子
Asia-Pacific Journal of Chemical Engineering
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2025
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IF 1.6
Ran Shi,Zizhao Guo,Hongyu Zhu,Fangjun Chen,Lin Lang,Chunhuan Luo,Muhammad Shahzad Khurram,Qingang Xiong
The pyrolysis kinetics of herb residues with potassium and iron addition were investigated using thermogravimetric analysis (TGA) and a four-logistic distribution activation energy model (4LG-DAEM). The model included hemicellulose, cellulose, lignin, and a pseudo-component for coke. Kinetic compensation effects and n -order mechanism functions were incorporated to better fit the catalytic pyrolysis process. Compared with conventional models, the 4LG-DAEM captured the TG curve characteristics more accurately, with R 2 values above 0.995. Fitted parameter analysis showed that potassium addition significantly reduced the activation energies of cellulose, hemicellulose, lignin, and biochar reactions, but narrowed the reaction temperature ranges. Iron addition had a smaller effect on activation energies but widened the reaction temperature range. The combination of potassium and iron had a synergistic effect, enhancing the secondary reactions of hemicellulose, cellulose, and coke more effectively than single catalysts. Potassium–iron composite catalysts notably increased the proportion of biochar secondary reactions in the total process. Additionally, the 4LG-DAEM model demonstrated strong predictive ability for the kinetics of potassium–iron catalyzed pyrolysis of various biomasses.
研究领域:
化学工程
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能源与燃料
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材料科学
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热分析
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催化
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高影响因子
BIOMEDICINE & PHARMACOTHERAPY
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2018
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IF 3.457
Li Zhang,Hui-Xia Li,Wu-Si Pan,Farhan Ullah Khan,Cheng Qian,Feng-Rong Qi-Li,Xiaojun Xu
Background and aims Non-alcoholic steatohepatitis (NASH) is the hepatic manifestation of metabolic syndrome and is characterized by steatosis, inflammation, and fibrosis. We aim to characterize the hepatoprotective effects of Leonurine hydrochloride (LH) and the possible pathway in a cell and rodent model of diet-induced steatohepatitis (NASH). Methods For in vitro studies, Palmitic acid (PA) and free fatty acid (FFA) induced HepG2 and HL7702 steatosis cell models were used. For in vivo studies, NASH was induced by feeding mice MCD diet. These mice received either placebo or LH at three different doses (50、100、200 mg/kg/day) for 6 weeks. Histological staining’s, and commercially available kits for ALT and AST and hepatic contents of TG, TC, MDA, SOD, and GSH were used to assess NASH. Furthermore, relative liver protein and gene expression levels were determined by Western Blot and qPCR, respectively. Results After establishing NASH models, LH treatment improved lipid accumulation, hepatic contents of TG, TC, and expression levels of ALT and AST in dose-dependent manner. Also, LH improved MDA, SOD, and GSH expression levels. The results of RT-PCR and Western blotting showed that LH upregulated the expression of AMPK phosphorylation and downregulated SREBP-1c and its target genes expression level. Conclusions Our data reveal the promising role of Leonurine hydrochloride in the prevention and treatment of NASH, in vitro and in vivo . This effect may be partially mediated by the AMPK/SREBP1 pathway. These findings provide a novel therapeutic target for the clinical treatment of NASH.
研究领域:
药理学
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肝病学
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代谢性疾病
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DOI
PubMed
高影响因子
ENERGY
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2022
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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
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环境科学
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高影响因子
Polymers
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2024
·Vol. 16
·期 23
·3254
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IF 4.7
Jiaqi Wang,Zhaoyutian Chu,Sijia Zheng
Considering the demand for the construction of a sustainable future, it is essential to endow the conventional thermoset silicone adhesive with reuse capability and recyclability. Although various research attempts have been made by incorporating reversible linkages, developing sustainable silicone adhesives by natural linkers is still challenging, as the interface between the natural linker and the silicone is historically difficult. We exploited the possibility of utilizingα-lipoic acid, a natural linker, to construct a sustainable silicone adhesive. Via the simultaneous ring-opening reaction between the COOH and epoxide-functionalized silicone and the polymerization of theα-lipoic acid, the resulting network exhibited dynamic properties. The shear strength of the LASA90 presented strong adhesion (up to 88 kPa) on various substrates including steel, aluminum, PET, and PTFE. Meanwhile, reversible adhesion was shown multiple times under mild heating conditions (80 °C). The rheology, TG-DTA, DSC, and1H NMR showed that the degradation of the LASA occurred at 150 °C via the retro-ROP of the five-membered disulfide ring, indicating their recyclability after usage. Conclusively, we envision that a silicone adhesive based onα-lipoic acid as a natural linker is more sustainable than conventional silicone thermosets because of its desired properties, strong adhesion, reversibility, and on-demand heat degradation.
研究领域:
材料科学
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化学工程
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可持续发展
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粘合技术
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聚合物化学
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PubMed
高影响因子
Reaction Chemistry & Engineering
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2022
·Vol. 8
·期 1
·64-76
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IF 5.2
Haosheng Xin,Haiyong Wang,Xiaohong Hu,Xiuzheng Zhuang,Long Yan,Chenguang Wang,Longlong Ma,Qiying Liu
Cellulose hydrolysis and further conversion to diketones and alcohols was performed with graphene layer encapsulated cobalt catalysts (Co@C) in phosphoric acid aqueous solution. A total of 60.5% yield of the products mainly including ethanol, 2,5-hexanedione (2,5-HD) and diols could be achieved in 0.06 M H3PO4 solution. A series of characterization methods such as XRD, XPS, TEM, TG-MS, BET, ICP, H2-TPD, NH3-TPD, and Raman were carried out to explore the catalyst formation mechanism and reaction activity. The results of the analysis indicated that the calcination temperature had a deep influence on the structure formation of the Co@C catalysts, thus leading to differences in the reaction activity. While the calcination temperature was determined at 700 °C, the Co@C catalyst meets with the requirements of optimal reaction activity, appropriate particle size, suitable surface area, and pore size. Besides, it was found that H3PO4 is not only favorable in cellulose hydrolysis but also cooperates with the Co@C catalyst in the hydrogenolysis of C–O bond and C–C bonds for the formation of products. This work provides a possible way for renewable cellulose conversion to diketone and alcohols over encapsulated non-noble metal catalyst combined with phosphoric acid aqueous solution.
研究领域:
化学工程
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催化
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可再生能源
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高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2017
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IF 6.065
Shao-Lin Xie,Muhammad Junaid,Wan-Ping Bian,Juan-Juan Luo,Jabir Hussain Syed,Chao Wang,Wen-Xu Xiong,Yan-Bo Ma,Aping Niu,Xiao-Jun Yang,Ji-Xing Zou,De-Sheng Pei
The polycyclic aromatic hydrocarbons (PAHs) and 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) are classified as human carcinogens, and can also cause serious health problems. To develop a convenient bio-monitoring tool for the detection of PAHs and TCDD in the environment, we generated a transgenic zebrafish line Tg(cyp1a:mCherry) with cyp1a promoter driving mCherry expression. Here, Tg(cyp1a:mCherry) embryos were treated with different concentrations of TCDD and five US EPA priority PAHs congeners. The results showed that the expressions of mCherry and endogenous cyp1a were consistent with the PAHs exposure concentrations and were largely induced by TCDD and ≥4-ring PAHs. Moreover, the sensitivity of Tg(cyp1a:mCherry) embryos was also evaluated through monitoring of the PAHs contamination in the water and soil samples. The elevated red fluorescent signals and cyp1a expression levels were observed in Tg(cyp1a:mCherry) zebrafish after exposure to water samples and soil organic extracts with higher concentrations of ≥4-ring PAHs. These results further strengthen our findings of concentration- and congener-dependent response of the newly established zebrafish. Taken together, the newly established zebrafish line will prove as a sensitive, efficient and convenient tool for monitoring PAHs and TCDD contamination in the environment.
研究领域:
环境科学
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毒理学
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基因工程
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水生生物学
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PubMed
高影响因子
Journal of Materials Chemistry A
·
2024
·
IF 10.7
Yi-Zhao Chen,Ting-Ting Mao,Song-Yi Liao,Selina X. Yao,Yong-Gang Min
As novel two-dimensional materials, MBenes derived from bulk ternary metal borides (MAB phase) have attracted increasing attention but are limited by their preparation strategy. In this work, MoxBy (MBene) derivatives with an accordion-like structure were successfully prepared by completely etching an Al layer from MoAlB via a molten-salt method. The thermal behaviors, crystal structure, and surface chemical state were analyzed using DSC/TG, XRD and XPS analyses, respectively. The micro-morphology of the obtained MBene was then characterized using scanning electron microscopy and transmission electron microscopy accompanied by EDS mappings. The results reveal that the MBene synthesized at 620 °C (abbreviated as MBene-620) demonstrates its characteristic (020) peak and layered structure. When used as an advanced anode for Li-ion batteries (LIBs), the MBene delivers excellent electrochemical performances with a reversible specific capacity of 638.2 mA h g−1 after 100 cycles at a current density of 0.1 A g−1. As a promising green strategy, this molten-salt method provides a new opportunity to explore the wide-ranging applications of MBene series, particularly in new energy fields of LIBs.
研究领域:
材料科学
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电化学
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能源存储
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高影响因子
危险品化学品经营许可证（带存储）