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ULTRASONICS SONOCHEMISTRY · 2024 · IF 8.7

Promoting ultrasonic cavitation via Negative-Curvature nanoparticles

Zhouling Wu,Xiaobin Liu,Huiying Guo,Jie Huang,Guangyu He,Hongyu Chen,Xueyang Liu

It is a challenge to study the nucleation of cavitation bubbles, which critically depends on nanoscale morphological features. Our recent advances in synthesizing colloidal negative-curvature nanoparticles (NGC-NPs) offer a rare opportunity, in comparison to the conventional studies of bulk substrates, where it is difficult to obtain consistent and well-defined surface features. In order to quantitatively assess their effects, we exploit the radical-induced color change of [Fe(SCN) 6 ] 3− , which turned out to be a more convenient method than the bending of AgNWs and the fluorescence-based methods. We show that the NGC-NPs outperform positive-curvature nanoparticles (PSC-NPs) and homogeneous nucleation, in terms of promoting cavitation. The NGC-NPs provide a higher percentage of gas–solid interface, and thus reduces the activation barrier during the critical stage of bubble nucleation. This leads a higher probability of cavitation and transforms more energy from ultrasonication to radical formation and shockwaves.

研究领域: 生物医学工程 · 纳米技术 · 物理化学
✓ 已验证 DOI PubMed 高影响因子
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2021 · IF 5.816

Synergistic promotion of multi-component RP-3 kerosene low-temperature ignition with addition of radical activator

Haoqiang Sheng,Xiaobin Huang,Yuan Ji,Zhengchuang Zhao,Zhijia Chen,Hong Liu

Scramjet engines play a vital role in hypersonic vehicles , but they suffer from the ignition issue due to the low reactivity of hydrocarbon fuel when flying at low flight Mach numbers . In this work, the low-temperature ignition performance of multi-component kerosene was significantly improved by only adding 3% borane-dimethyl sulfide (BDMS), resulting in the low-temperature ignition reducing greatly from 620 to 160 °C. This indicates that BDMS was an effective activator for multi-component kerosene. To analyze the low-temperature efficient activation mechanism of multi-component kerosene, paraxylene, ethylcyclohexane, n -decane, and n -tetradecane (each with added 3% BDMS) were studied as they are essential components in kerosene, respectively. The low-temperature ignition performance and the ignition process of n-alkane were significantly improved and changed for a single component of hydrocarbon. There was a synergistic promotion effect for multi-component hydrocarbons with the addition of activator BDMS. BDMS could significantly improve the low-temperature ignition performance and oxidation of ethylcychohexane in the presence of n -tetradecane. The addition of paraxylene promoted the evaporation of the hybrid fuel of n -tetradecane/ethylcyclohexane. The results obtained from this study could help to gain a better understanding of the low-temperature ignition of multi-component kerosene and provide an effective method to solve the scramjet ignition problem at low flight Mach numbers.

CAS / MDL: 1678-91-7
研究领域: 航空航天工程 · 燃烧科学 · 推进技术
✓ 已验证 产品关联 DOI 高影响因子
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Defence Technology · 2022 · IF 4.035

A comparative single-pulse shock tube experiment and kinetic modeling study on pyrolysis of cyclohexane, methylcyclohexane and ethylcyclohexane

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 · 燃烧科学
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Energies · 2025 ·Vol. 18 ·期 10 ·2419 · IF 3.2

Experimental and Kinetic Simulation Study of the High-Temperature Pyrolysis of 1,2,4-Trimethylbenzene, 1,3,5-Trimethylbenzene and n-Propylbenzene

Yujia Feng,Jing Li,Gengqi Liu,Da Yao,Jinhua Li,Quan-De Wang,Zhaowen Wang,Jinhu Liang

This paper reports a comparative study on the high temperature pyrolysis characteristics of three C9H12isomers, including n-propylbenzene (PBZ), 1,3,5-trimethylbenzene (T135MBZ), and 1,2,4-trimethylbenzene (T124MBZ), via single-pulse shock tube (SPST) experiments and kinetic simulations. The SPST experiments were conducted in the temperature range of 1100–1700 K, at pressures of 10 bar and 15 bar, with a fixed fuel concentration of 200 ppm. The reaction time was approximately 1.8 ms for all of the experiments. The distributions of the pyrolysis products were quantitatively analyzed as functions of pressure and temperature. A detailed kinetic mechanism was used to simulate the experimental results, and it is demonstrated that the mechanism can capture the pyrolysis characteristics reasonably well. Both experimental and simulation results reveal that PBZ exhibits higher fuel reactivity than T124MBZ and T135MBZ under the studied conditions. Pyrolysis of all three C9H12isomers generates key soot precursors, including acetylene and benzene. Sensitivity and rate-of-production (ROP) analyses indicate similar primary pyrolysis pathways. The benzyl radical is first formed through the dehydrogenation reaction and then it undergoes a series of decomposition reactions leading to the detected small hydrocarbon species. This study not only provides an in-depth understanding of the high temperature pyrolysis characteristics of the three C9H12isomers, but also provides essential validation data for the development and optimization of chemical kinetic mechanisms for alkyl aromatic hydrocarbons.

研究领域: 化学工程 · 燃烧科学 · 反应动力学
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Defence Technology · 2021 ·Vol. 18 ·期 10 ·1852-1862 · IF 3.172

Novel aluminum-based fuel: Facile preparation to improve thermal reactions

Fa-yang Guan,Hui Ren,Wan-jun Zhao,Xin-zhou Wu,Qing-jie Jiao

To improve the thermal properties of aluminum (Al) in the energetic system, a coated structure with ammonium perchlorate (AP) was prepared by a facile approach. And N, N-Dimethylformamide (DMF) was chosen as an ideal solvent based on heterogeneous nucleation theory and molecular dynamics simulation. This coated structure could enlarge the contact area and improve the reaction environment to enhance the thermal properties. The addition of AP could accelerate oxidation temperature of Al with around 17.5 °C. And the heat release of 85@15 composition rises to 26.13 kJ/g and the reaction degree is 97.6% with higher peak pressure (254.6 kPa) and rise rate (1.397 MPa/s). An ideal ratio with 15 wt% AP was probed primarily. The high energy laser-induced shockwave experiment was utilized to simulate the reaction behavior in hot field. And the larger activated mixture of coated powder could release more energy to promote the growth of shockwave with higher speed up to 518.7 ± 55.9 m/s. In conclusion, 85@15 composition is expected to be applied in energetic system as a novel metal fuel.

研究领域: 材料科学 · 能源化学 · 热力学 · 纳米材料 · 燃烧学
✓ 已验证 DOI 高影响因子
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2024 · IF 5.8

An experimental and chemical kinetic simulation study of the high-temperature pyrolysis of linear C1–C5 alcohols

Ruirong Ma,Xinhui Wang,Ning Zhang,Yang Cao,Qian Yao,Quan-De Wang,Jinhu Liang

The high-temperature pyrolysis characteristics of C 1 –C 5 linear alcohols, including methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol, systematically studied experimentally and the results interpreted using a detailed kinetic model. Specifically, a single-pulse shock tube coupled to a gas chromatography-mass spectrometry (GC-MS) system and a gas chromatograph (GC) is used to conduct a comprehensive experimental study on the high-temperature pyrolysis of the five alcohols, at pressures of 5 and 10 bar, in the temperature range 1000–1800 K at 1% fuel diluted by argon. Qualitative and quantitative analyses are conducted on the reactant, intermediate, and product species involved to determine species distributions as a function of temperature. A detailed chemical kinetic mechanism, NUIGMech1.3, is used to simulate the experimental data under the working conditions. The simulation results are compared with the experimental results, and it is shown that the overall trends between experiments and model predictions are relatively ideal in the comparison of all product and reactant concentrations, even though there is still a phenomenon of inaccurate prediction. Reaction pathway analysis is then conducted on the five alcohols. The present work not only provides additional experimental data for alcohols, but also provides insights into the high-temperature pyrolysis characteristics of the five fuels, which will be valuable for further development and optimization of detailed kinetic mechanisms of these alcohols and promote their practical application.

研究领域: 化学工程 · 能源科学 · 燃烧动力学
✓ 已验证 DOI 高影响因子
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COMBUSTION AND FLAME · 2025 · IF 6.2

Shock tube and laser absorption study of C–N–Cl interactions relevant to ammonium perchlorate combustion

Shubao Song,Lin Zhang,Meishuai Zou,Jiankun Shao

High-temperature gas-phase interactions between chlorine- and nitrogen-bearing species relevant to ammonium-perchlorate (AP) propellant combustion were elucidated by coupling shock-tube laser-absorption measurements with a detailed kinetic model. Time-resolved HCl concentration profiles were obtained for four argon-diluted surrogates—0.3 % NH 3 /0.3 % CCl 4 , 0.5 % NH 3 /0.3 % CCl 4 , 0.2 % NH 3 /0.2 % CCl 4 /0.2 % CH 4 , and 0.2 % NH 3 /0.2 % CCl 4 /0.2 % H 2 —over 1158–1506 K at near-atmospheric pressure. A kinetic model consisting of 164 species and 1358 reactions, assembled from state-of-the-art CCl 4 , H–Cl–O, NH 3 /C 0 –C 2 , and N–Cl sub-models, reproduced the new HCl data alongside literature ignition-delay and speciation measurements with excellent accuracy. Sensitivity and rate-of-production analyses reveal a temperature-robust control structure in which HCl forms almost entirely through Cl-atom abstraction from NH 3 , with Cl supplied by rapid CCl 4 dissociation; the barrierless Cl + H<=>HCl path dominates in H 2 -containing mixtures, whereas competition from Cl + CH 4 <=>CH 3 + HCl moderates HCl growth and channels carbon–nitrogen flux toward toxic HCN when CH 4 is present. Elevated temperature chiefly amplifies Cl production and suppresses NH 2 recombination, accelerating overall reactivity without altering the dominant pathways. The resulting benchmark HCl time-histories and rigorously validated model advance fundamental understanding of chlorine–nitrogen combustion chemistry and provide quantitative guidance for formulating halogenated energetic materials that maximise performance while limiting hazardous by-product formation. Importantly, the mechanism developed here may serve as a transferable gas-phase sub-model for future integration into comprehensive AP combustion frameworks, enabling more predictive simulations of real propellant systems.

CAS / MDL: 56-23-5
研究领域: 燃烧化学 · 推进剂化学 · 反应动力学 · 气体动力学 · 环境化学 · 能源材料
✓ 已验证 产品关联 DOI 高影响因子
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FUEL · 2025 · IF 7.5

Water effect on ignition delay times of ethanol/iso-octane mixtures at elevated pressures

Xue Jiang,Tianqi Zhang,Zefeng Lin,Yingjia Zhang,Zuohua Huang,Wei Zhu,Linxun Xu,Suxian Xu

The effect of water addition on the ignition delay times of ethanol/ iso -octane mixtures was measured in a shock tube at pressures of 1.2 and 10 atm, temperatures from 943 to 1383 K, an equivalence ratio of 1.0, and water contents of 0 % to 40 % (mole fraction in total component). Results indicate that water addition non-monotonically affects ignition delay times at 1.2 atm, while at 10 atm, it has contrasting effects across different temperature ranges. Simulations from five representative literature models were compared with experimental data. Chemical kinetic analysis was conducted using both the Modified LLNL 2021 model and RWTH 2015 model at 10 atm and temperatures of 1300 K and 950 K. Reaction pathway analysis indicates that increased water content in the ambient enhances H-atom abstraction pathways by OH radicals during the ignition of both ethanol and iso -octane. Sensitivity analysis indicated that reactions involving hydrogen chemistry significantly influences ignition. Rate of production analysis identified consumption rates and pathways of H atom as key factors affecting temperature dependence after water addition. The fictitious diluent gas method was introduced to isolate thermal and chemical kinetics effects after water addition.

研究领域: 燃烧科学 · 化学动力学 · 燃料化学 · 高压物理 · 实验热力学
✓ 已验证 DOI 高影响因子
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PROPELLANTS EXPLOSIVES PYROTECHNICS · 2025 · IF 2

Ignition of Mixed Powder of DAP-4 and Nano-Al Using Shock Tube

Liang Zhang,Chen Zhao,Zuohui Xu,Yuhuai Shi,Erhai An,Jinhu Liang,Xiong Cao

Al is widely used in solid propellants for its high energy density. (C 6 H 14 N 2 )[NH 4 (ClO 4 ) 3 ](DAP-4), a novel energetic material, exhibits excellent detonation performance, thermal stability, oxidizing capacity, and cost efficiency, making it a promising high-energy oxidizer. This study investigated the ignition and combustion properties of DAP-4/nano-Al mixtures. DAP-4 was synthesized via a one-pot molecular self-assembly strategy, and mixtures with varying Al ratios (10%–30%) were prepared through mechanical mixing. X-ray diffraction (XRD) confirmed that the mixed powders retained their original crystalline structures without the formation of new phases. Scanning electron microscopy (SEM) revealed that nano-Al particles adhered effectively to DAP-4 surfaces, with higher Al content increasing the particle coverage. Elemental mapping and EDS were used to further characterize the surface morphology changes. Thermogravimetry-Differential Scanning Calorimetry(TG–DSC) indicated good compatibility between DAP-4 and nano-Al, with minimal mutual interference during thermal decomposition. Ignition experiments were conducted in a shock tube under temperatures (2200–3100 K) and pressures (0.1 and 0.5 MPa). The results showed that in the DAP-4/nano-Al mixtures, an increase in the Al fraction caused a decrease in the ignition delay time and an increase in the burn time. Simultaneously, the reaction in the presence of Al changed qualitatively, as is apparent from the changed activation energies. Compared to the combustion of neat DAP-4, both the ignition delay and burn times could be longer or shorter, depending on the Al fraction. This study demonstrated that the addition of nano-Al effectively enhanced DAP-4 combustion. In practice, DAP-4's ignition and combustion can be controlled by adjusting the nano-Al mass fraction.

CAS / MDL: 280-57-9
研究领域: 含能材料 · 燃烧科学 · 推进剂 · 纳米技术 · 材料化学
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POLYMER TESTING · 2019 · IF 2.943

Construction of bi-layer biluminophore fast-responding pressure sensitive coating for non-contact unsteady aerodynamic testing

Di Yang,Junkai Ren,Jiwei Li,Qinglin Wang,Qiu Wang,Zheng Xie,Xiaozhong Qu

Herein we report on a biluminophore fast-responding pressure sensitive coating with a bi-layer structure prepared by a non-sensitive reference base paint and subsequently a classic polymer-ceramic pressure sensitive paint (PSP). The coating procedure is fully sprayable and allows the separation of the two luminophores in each layer to prevent their interference that may affect the pressure responsibility. The major advance is the use of sol-gel process of tetraethoxysilane (TEOS) and methyltriethoxysilane (MTES) to make the bottom reference layer which ensures the spreading and affinity of the top PSP, composed of a room-temperature vulcanizing silicone rubber (RTV), so that very thin PSP layer, i.e. less than 5 μm, was achieved. Besides, silane-functionalized carbon dots (CDs) was selected as the reference probe, for it could be well-incorporated with the TEOS/MTES matrix, and gained high loading level and hence strong luminescence of the basecoat to overcome the attenuation effect of the top PSP layer. The resultant biluminophore bi-layer fast-responding PSP (denoted as Fast bi-PSP) showed two completed separated emissions with λ max at 430 and 600 nm for the incorporated CDs and the oxygen sensitive ruthenium complex dye, which enables the utility of intensity ratio from blue and red luminescence for the measurement of surface pressure by following Stern-Volmer relationship. Using a shock tube , the response time of the Fast bi-PSP coating was determined to be 0.4–0.6 ms according to the chemical composition . The ability of the coating for monitoring the dynamic evolution of full-field surface pressure was demonstrated on sample plates at attack angles of 0° and 5°. Our work suggests a facile but efficient way for the future design of self-referenced photoluminescent non-contact surface pressure sensing systems.

研究领域: 航空航天工程 · 材料科学 · 光学传感
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