CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Wanyue Qin,Hanyu Wu,Qi Chen,Jintao Sun,Nan Liu,Bonan Liu,Mingming Zhang
The combination of external fields and catalysts is considered a promising method for enhancing the performance of dry reforming of methane (DRM). In this study, thermal, electric field, and plasma assisted catalytic DRM were implemented to investigate the synergistic effect between the electric field/plasma and the catalyst. Experimental measurements and chemical kinetics modeling were combined to unveil the underlying mechanism of non-equilibrium molecular excitation in external fields (electric field and plasma) and catalyst synergistic DRM. The experimental results showed that introducing an electric field can improve the reaction activity in low-temperature regions compared to thermal catalysis. However, plasma catalysis exhibits a significant enhancement effect than electric field catalysis. Plasma catalysis achieved CH 4 and CO 2 conversion of 30.9 % and 23.2 %, respectively, at 7000 V and 500 °C, while the highest conversion for electric field catalysis were 20.5 % and 16.2 %, respectively. A zero-dimensional kinetic simulation was conducted using a hybrid ZDPlasKin-CHEMKIN model to predict the species densities over time, simultaneously including electric field- and plasma-induced reactions and surface reactions. The numerical model presented good agreement with the results of CH 4 /CO 2 consumption and products (syngas and hydrocarbons) formation. Path flux analysis shows that the vibrationally excited CO 2 (v) promotes the dissociative adsorption in electric field catalysis. However, plasma-generated radicals, ions, and electronically excited species significantly enhance gas-phase and E-R reactions in plasma catalysis. The dominant reaction mechanism for syngas formation and reactants consumption shifts from surface reactions to gas-phase reactions as the system transitions from electric field catalysis to plasma catalysis. This work provides new insights into the synergistic effects between the external fields (electric field and plasma) and the catalyst in DRM process.
研究领域:
化学工程
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催化科学
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能源转化技术
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产品关联
DOI
高影响因子
Defence Technology
·
2022
·
IF 4.035
Jin-hu Liang,Shu-tong Cao,Fei Li,Xiao-liang Li,Rui-ning He,Xin Bai,Quan-De Wang,Yang Li
The pyrolysis of cyclohexane, methylcyclohexane, and ethylcyclohexane have been studied behind reflected shock waves at pressures of 5 and10 bar and at temperatures of 930–1550 K for 0.05% fuel diluted by Argon. A single-pulse shock tube (SPST) is used to perform the pyrolysis experiments at reaction times varying from 1.65 to 1.74 ms. Major products are obtained and quantified using gas chromatography analysis. A flame ionization detector and a thermal conductivity detector are used for species identification and quantification. Kinetic modeling has been performed using several detailed and lumped chemical kinetic mechanisms. Differences in modeling results among the kinetic models are described. Reaction path analysis and sensitivity analysis are performed to determine the important reactions controlling fuel pyrolysis and their influence on the predicted concentrations of reactant and product species profiles. The present work provides new fundamental knowledge in understating pyrolysis characteristics of cyclohexane compounds and additional data set for detailed kinetic mechanism development.
研究领域:
化学工程
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燃烧科学
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产品关联
DOI
高影响因子
FUEL
·
2025
·
IF 7.5
Bingying Ni,Xiaoyu Pei,Weihua Chen,Meishan Fan,Jun Xie
As a green and efficient pretreatment method, CrCl 3 -catalyzed ethanol pretreatment was employed to depolymerize poplar at various reaction times (5, 10, 20, 30, 50, and 70 min) and temperatures (160, 170, 180, 190, and 200°C) to effectively remove lignin and hemicellulose, thus improving the subsequent enzymatic saccharification efficiency of cellulose. The maximum lignin and hemicellulose removal yields of 94.51 % and 94.78 %, respectively, were achieved when pretreated at 200°C for 20 min. Furthermore, The CrCl 3 -ethanol pretreatment was found to have low dissolution activation energies (18.03 kJ/mol for lignin and 24.15 kJ/mol for hemicellulose) through pseudo-first-order kinetic modeling with ’potential solubility’ integration, demonstrating an energy-efficient synergistic effect conducive to reaction progression. Finally, combining density functional theory (DFT) from the molecular level clarified that hydrogen bonding and conjugated effect of CrCl 3 –ethanol solution and lignin-hemicellulose co-caused high efficiency separation of lignin and hemicellulose. This study integrated kinetic modeling and quantum chemical analysis to unravel the hydrogen-bond-mediated deconstruction mechanism, significantly advancing sustainable biorefinery strategies for efficient biomass valorization.
研究领域:
生物质转化
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绿色化学
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催化化学
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可再生能源
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分子生物学
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反应动力学
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量子化学计算
✓ 已验证
产品关联
DOI
高影响因子
ULTRASONICS SONOCHEMISTRY
·
2025
·
IF 9.7
Liang Ye,Yixin Pan,Wenfang Wang,Shixin Li,Bing Yang,Xiaobin Jia,Liang Feng
This study aimed to developed an integrated ultrasound-assisted approach that incorporates ultrasound into both the enzymatic biotransformation and resin-based purification steps for the efficient preparation of secondary flavonoid glycosides (SFGs) from Epimedium. Ultrasound pretreatment was first applied to cellulase to enhance the deglycosylation of parent flavonoid glycosides (PFGs), followed by ultrasound-assisted purification using ADS-17 resin, while kinetic modeling, adsorption–desorption profiling, and morphological examinations were conducted to elucidate the underlying mechanisms of ultrasonic intensification. Kinetic analysis showed that ultrasonic pretreatment (50 W) significantly accelerated the enzymatic reaction, increasing the first-order rate constant (k 1 from 0.0129 to 0.0287 min –1 ) and reducing the time to 99 % conversion (t 99 ) from 356 to 161 min. During purification, pseudo-second-order kinetic modeling confirmed that ultrasound (150 W) enhanced adsorption by increasing the rate constant and raising the equilibrium capacity from 77.58 to 99.06 mg/g, while pseudo-first-order modeling described the accelerated desorption process, in which t 95 was shortened by ∼ 40 %. The purified SFGs achieved > 80 % purity as verified by UPLC–Q–TOF–MS. In ovariectomized rats, ultrasound-prepared SFGs markedly improved trabecular microarchitecture, biochemical markers, and OPG/RANKL/RANK signaling, exhibiting superior anti-osteoporotic efficacy compared with crude PFGs. Overall, this work develops a dual-stage ultrasound-intensified strategy that integrates biotransformation with resin purification, providing a green, efficient, and scalable approach for producing high-value natural flavonoids.
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产品关联
DOI
PubMed
高影响因子
iScience
·
2025
·Vol. 28
·期 8
·113127
·
IF 4.1
Chengzhuang Zhang,Jia Fang,Zhiqiang Han,Peng Chen,Xilong Xu,Kejian Wang,Yunxi Shi,Jianxiong Liao
CaO-based adsorbents present a promising approach for industrial CO 2 emissions reduction. This study systematically investigates the influence of adsorption temperature, adsorbent mass, CO 2 concentration, and flow rate on CO 2 capture efficiency using commercial CaO via thermogravimetric analysis (TGA). Optimal adsorption performance, achieving a capacity of 0.62 g/g and a rate exceeding 0.14 g/g/min, was observed at 750°C, 7 mg mass, 20% CO 2 , and 20 mL/min flow. Characterization (SEM, BET, and FTIR) indicated that 750°C preserved a hierarchical pore structure (24.64 m 2 /g surface area, 0.1026 cm 3 /g pore volume, and 7.08 nm average pore size), mitigating sintering and pore blockage while confining carbonation to surface layers. Kinetic modeling confirmed chemisorption dominance (pseudo-second-order). These findings elucidate fundamental mass/heat transfer limitations, supporting the development of enhanced CaO-based carbon capture, utilization, and storage (CCUS) technologies. Applied sciences; Chemistry; Environmental science.
研究领域:
应用科学
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化学
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环境科学
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产品关联
DOI
PubMed
高影响因子
ENERGY & FUELS
·
2021
·
IF 3.605
Weiyu Song,Kuichao Yu,Xiangyang Ji,Bowen Liu,Zhi Li,Yanjun Chen,Jian Liu
Low-cost, environmentally friendly, and highly efficient catalysts are urgently needed for the direct propane dehydrogenation (PDH) to propylene. Studies have shown that defective TiO2 obtained by in situ reduction shows excellent catalytic PDH performance. Doping metals in the lattice of TiO2 is a plausible method for tuning the vacancy content and electronic property. In this paper, doping with fifth period transition metals was screened using a computational method, followed by experimental synthesis to further improve the PDH activity of TiO2-based catalysts. The TiO2 (101) surface with doping metals was first studied to determine the positive effect on the vacancy formation. Then, the two disputed reaction paths, that is, the concerted and stepwise path, were compared extensively on all of the doping models. Step one is found to be more preferable for all. The microkinetic modeling was employed to obtain the turnover frequency (TOF), based on which the linear relationship is found for TOF and binding energy of dissociated H2 or co-adsorption energy of 2-propyl&H. The abovementioned screening process shows Ru-doped TiO2, which shows the highest PDH activity and is justified by experimental results.
研究领域:
催化
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材料科学
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化学工程
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计算化学
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产品关联
DOI
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
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2024
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IF 10.8
Penghui Du,Kexin Tang,Biwei Yang,Xiaohan Mo,Junjian Wang
Measuring the quantum yield and reactivity of triplet-state dissolved organic matter (3DOM*) is essential for assessing the impact of DOM on aquatic photochemical processes. However, current 3DOM* quantification methods require multiple fitting steps and rely on steady-state approximations under stringent application criteria, which may introduce certain inaccuracies in the estimation of DOM photoreactivity parameters. Here, we developed a global kinetic model to simulate the reaction kinetics of the hv/DOM system using four DOM types and 2,4,6-trimethylphenol as the probe for 3DOM*. Analyses of residuals and the root-mean-square error validated the exceptional precision of the new model compared to conventional methods. 3DOM* in the global kinetic model consistently displayed a lower quantum yield and higher reactivity than those in local regression models, indicating that the generation and reactivity of 3DOM* have often been overestimated and underestimated, respectively. The global kinetic model derives parameters by simultaneously fitting probe degradation kinetics under different conditions and considers the temporally increasing concentrations of the involved reactive species. It minimizes error propagation and offers insights into the interactions of different species, thereby providing advantages in accuracy, robustness, and interpretability. This study significantly advances the understanding of 3DOM* behavior and provides a valuable kinetic model for aquatic photochemistry research.
研究领域:
环境科学
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光化学
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水化学
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动力学建模
✓ 已验证
DOI
PubMed
高影响因子
Polymers
·
2025
·Vol. 17
·期 17
·2390
·
IF 4.9
Guixiang Xie,Yaqi Lu,Xiaochun Lu,Zhusen Zhang,Shuidong Lin
Thermogravimetric analysis (TGA) has been extensively applied in polymeric characterization and quality inspection, facilitating in-depth investigations of the microstructural thermal response characteristics of polymers, including thermal stability, composition analysis, and thermal decomposition mechanisms. Here, the impacts of six factors on the TG thermal analysis curves obtained during operation are systematically examined while analyzing their causes and recommending solutions. Furthermore, the thermal degradation kinetics of an ionomer formed by neutralizing an ethylene–methacrylic acid copolymer with metal ions (SGP membrane) used in laminated tempered glass is analyzed using the Arrhenius equation, Ozawa–Flynn–Wall hypothesis and Kissinger method. Kinetic parameters at 5% degradation are fitted and used to predict the service lifetime of the SGP membrane. The results indicate that the SGP membrane sample exhibits activation energyEa= 136.90 kJ/mol, reaction ordern= 1.65 and pre-factorA= e25.93. It can be seen that the service lifetime of the SGP membrane sample is 16 years at 80 °C and 1.65 years at 100 °C.
研究领域:
高分子科学
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热分析
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材料化学
·
动力学建模
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）