Article
Thermodynamics
Xiao-Qiao Zhao, Wen-Qian Wu, Hua-bo Li, Wang-Hua Chen, Zi-Chao Guo, Li-Ping Chen
Summary: Adiabatic calorimetry is a key experimental method for studying thermal hazards in chemical processes, but faces challenges in identifying reaction models and maintaining system equilibrium under rapid temperature rise rates. This study introduces the heat-quench-heat method to address these issues and accurately evaluate kinetic parameters.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Engineering, Environmental
Huiming Sun, Song Guo, Sining Chen, Min Jia, Shuyi Shen
Summary: In this work, elevated thermal and isothermal experiments of azobenzene were conducted using SENSYS Evolution DSC. Kinetic parameters and decomposition mechanism were determined using Kinetic Calculation (KC) method and Molecular Dynamics Simulation (MDS) method. The results demonstrate that azobenzene exhibits a distinct first endothermic and subsequent exothermic behavior during thermal decomposition. The apparent activation energy remains relatively constant in the range of 0.1 <_ alpha <_ 0.4 and gradually decreases as the reaction proceeds. The thermal decomposition behavior of azobenzene can be described by the Sestak-Berggren mechanism. At the initial stage, the decomposition process is controlled by the lack of sufficient free radicals, while at the autocatalytic stage, it is governed by the exponential growth of free radicals. Based on the Semenov model, the self-accelerating decomposition temperature (SADT) of azobenzene is calculated to be 380.5 degrees Celsius when packed in a 25 kg standard package.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2022)
Article
Chemistry, Multidisciplinary
Fatemeh Najarnia, Fatemeh Ahmadpoor, Samaneh Sahebian, Jacqueline A. Johnson, Saeed Kamali, Seyed Abbas Shojaosadati
Summary: This study investigated the thermal stability and decomposition kinetics of Ha center dot gg iron carbide nanoparticles synthesized via a wet chemical method. The results showed that the transformation activation energy of the nanoparticles was high, and the degradation kinetics was determined to be a three-dimensional diffusion type.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Analytical
Yiying Zhang, Lianjie Zhai, Cheng Xu, Pei Chang, Kangzhen Xu, Bozhou Wang, Yanan Li
Summary: DTNBDNP and DDNBDNP are newly developed heat-resistant explosives with high thermal decomposition temperature and superior properties. The thermal behaviors and nonisothermal decomposition kinetics were investigated using DSC, and the thermal safety was evaluated by different criteria. Further studies found that the decompositions of DTNBDNP and DDNBDNP mainly start with a ring-opening reaction and release NO, CO2, N2O, and NO2 as the main gaseous products.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Thermodynamics
Lili Ye, Zhihe Zhang, Fan Wang, Xiaodong Wang, Yiming Lu, Lei Zhang
Summary: This study investigated the pyrolysis mechanism of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) explosive using ab initio and kinetic modeling simulations. The results showed that N-NO2 bond fission and C-H beta-scission are important channels in the decomposition of HMX.
COMBUSTION AND FLAME
(2024)
Article
Chemistry, Physical
Xin-Yuan Gao, Hai-Yao Deng, Chun-Shing Lee, J. Q. You, Chi-Hang Lam
Summary: Using a lattice model based on void-induced dynamics, researchers were able to reproduce the linear relationship between heat capacity and temperature at very low temperatures. The results show that the heat capacity is dominated by two-level systems formed due to the localization of voids to neighboring sites. This supports the conventional two-level tunneling picture and provides a unified framework for understanding the microscopic dynamics of glasses at different temperatures.
Article
Thermodynamics
Shuang Xu, Aimin Pang, Jie Kong
Summary: This study investigated the influence of urea-based burning rate suppressants (BRSs) on AP and HTPE binders. It was found that BRSs with lower activation energies can better reduce the burning rates of propellants. The thermogravimetry-Fourier transform infrared spectrometer curves showed that the cyano groups in BRS-1 and BRS-2 are more effective in generating ammonia.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Chemistry, Physical
Han Zhang, Jun-Cheng Jiang, Lei Ni, Shang-Hao Liu
Summary: The thermal hazard characteristics and pyrolysis mechanism of [Bmmim][NO3] were investigated, and the main harmful gases and reaction steps were identified.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Xiaofang Lv, Yang Liu, Shidong Zhou, Bohui Shi, Kele Yan
Summary: The study investigates the decomposition mechanism of hydrate slurry and proposes that desorption of gas from the surface of decomposed particles may be the main cause of particle coalescence. A comprehensive kinetic model considering influencing factors such as intrinsic kinetics, heat, and mass transfer is proposed, using fugacity difference as the driving force for hydrate decomposition. The model integrates heat and mass transfer effects and can describe trends in gas release and dissociation rate in experimental flow systems.
Article
Chemistry, Analytical
Zhuqing Fang, Shukui Li, Jiping Liu, Chuang Yu, Dongsen Zheng, Meizhuang Qiao
Summary: This study investigates the influence of lithium aluminium hydride (LiAlH4) on the decomposition process of cyclotrimethylenetrinitramine (RDX). The results show that LiAlH4 significantly decreases the decomposition temperature of RDX and alters its decomposition pattern.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Energy & Fuels
Liang Li, Ruben van de Vijver, Kevin M. Van Geem
Summary: The gas-phase pyrolysis kinetics of syringol, an abundant component in hardwood lignin, were studied using experimental and theoretical approaches. The experimental results revealed that 2,3-dihydroxybenzaldehyde is the most important phenolic product, along with the formation of significant pyrolytic water. The proposed decomposition pathways and the findings from the kinetic model provide new insights into the chemistry of syringyl species during pyrolysis.
Article
Chemistry, Physical
Wenjia Li, Yuanqi Gan, Yu Li, Shiying Li, Jinghao Liang, Wenhao Fan, Zichun Yu, Yichang Li, Yajun Ding, Zhongliang Xiao, Jie Zhou
Summary: Metal-organic frameworks (MOFs) offer promising opportunities for modifying energetic materials due to their micro-porous structure and high performance. In this study, a novel green MOF named cyclodextrin-MOF (CD-MOF) was synthesized using a simple approach and incorporated potassium ions. The CD-MOF showed enhanced propellant performance through optimizing intermolecular forces with nitrocellulose (NC). Molecular dynamics simulations revealed stronger interactions between the CD-MOF and NC. Additionally, the CD-MOF formed a stable structure within NC, providing resistance to migration and defense against crystalline precipitation and water absorption. The CD-MOF also exhibited efficient flame and flash inhibition in static combustion and pyrolysis tests, and its thermal degradation resulted in the formation of a complex microporous material capable of absorbing flammable and harmful gases. These findings highlight the superior performance and unique properties of CD-MOF compared to conventional inorganic salts, emphasizing its significant contribution to the field of green propellants.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Thermodynamics
Wenjing Xia, Siwen Wang, Hao Wang, Tao Xu
Summary: The study discussed the thermal decomposition mechanism of asphalt materials by calculating kinetic parameters based on DSC test results of SARA fractions. The results showed that the thermal decomposition processes of SARA fractions involve complex endothermic and exothermic reactions, with exothermic reactions being predominant. The study also found that the FRL isoconversional method is suitable for calculating kinetic parameters during the thermal decomposition of SARA fractions.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Nuclear Science & Technology
David L. Y. Louie, Yifeng Wang, Rekha Rao, Alec Kucala, Jessica Kruichak
Summary: To mitigate the adverse effects of molten corium after a reactor pressure vessel failure, new reactor designs incorporate a core catcher and sacrificial material to stabilize the corium. Existing reactors can be modified to allow injectable cooling materials. A novel granular carbonate mineral is proposed as a sacrificial material, which can quickly solidify the corium through thermal decomposition reaction.
NUCLEAR ENGINEERING AND DESIGN
(2022)
Article
Energy & Fuels
Sanggono Adisasmito, Yohanes Andre Situmorang, Fauzan Firdaus, Dwiwahju Sasongko, Yusrin Ramli, Guoqing Guan, Antonius Indarto
Summary: This study simulated and compared the torrefaction characteristics of woody and non-woody biomasses. It found that the hemicellulose decomposition rate was highest at 290°C, while the biomass mass yield decreased by 60% to 70% at a torrefaction temperature of 300°C. The evaluation concluded that an energy yield of >90% could be obtained by applying the torrefaction method at 250°C for 30 minutes.
BIOENERGY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Ling Chen, Yingbo Wang, You Fu, Jie Liu, Wei-dong He
Article
Chemistry, Multidisciplinary
Ling Chen, Weidong He, Jie Liu
Article
Materials Science, Multidisciplinary
Ling Chen, Yang Qin, Xinfu Cao, Jianbing Gao, Shishuo Liu, Yang Zhang, Jing Tu, Yingbo Wang, Jie Liu, Weidong He
Summary: A novel nitrated bacterial cellulose/nanoenergetic composite was successfully prepared using sol-gel and freeze-drying technologies. The composite showed a unique porous structure and demonstrated promising thermal decomposition and safety performance.
MATERIALS TECHNOLOGY
(2022)
Article
Chemistry, Applied
Ling Chen, Xinfu Cao, Jianbing Gao, Yingbo Wang, Yang Zhang, Jie Liu, Weidong He
Summary: A novel three-dimensional porous cross-link network structure of nitrated bacterial cellulose nano-gel was synthesized in this study, showing unique thermal behavior and lower activation energy compared to raw NBC. The thermal decomposition mechanism of the NBC gel indicated significant heat-release during the process, with potential applications in preparing binder-based nEMs.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2021)
Article
Chemistry, Multidisciplinary
Ling Chen, Xinfu Cao, Yong Chen, Qiang Li, Yingbo Wang, Xijin Wang, Yang Qin, Xiang Cao, Jie Liu, Ziqiang Shao, Weidong He
Summary: This study examined the use of cellulose nanofibers as coating materials for energetic crystals, revealing enhanced dispersibility and improved interfacial contact ability between CNFs and energetic crystals, leading to outstanding thermal stability and sensitivity performances of the core-shell structure composites. The results demonstrate a potential fabrication strategy for decorating high-explosive crystals by uniformly coating CNFs on their surface.
Article
Chemistry, Multidisciplinary
Ling Chen, Qiang Li, Shishuo Liu, Yiying Bei, Yajun Ding, Jie Liu, Weidong He
Summary: This study successfully prepared core-shell structured energetic composites using PDA self-polymerization technology, inspired by the composition of attachment proteins in mussels, to improve the thermal stability and safety of energetic crystals while reducing their sensitivity to impact. The results demonstrate that the heat resistance of the PDA layer significantly increases the thermal decomposition temperature of energetic crystals.
ADVANCED MATERIALS INTERFACES
(2021)
Article
Materials Science, Composites
Ling Chen, Xiangdong Mao, Qiang Li, Xiang Cao, Jianwei Zhang, Yingbo Wang, Jie Liu, Weidong He
Summary: This study utilizes a novel thermoplastic cellulose-based energetic binder, NGEC, to prepare energetic composites with improved thermal properties and reduced sensitivity. The results demonstrate that NGEC combined with energetic crystals tightly by van der Waals force, providing promising applications in high-energy and high-strength propellants.
COMPOSITES COMMUNICATIONS
(2021)
Article
Engineering, Environmental
Ling Chen, Qiang Li, Xijin Wang, Jianwei Zhang, Guozhen Xu, Xiang Cao, Jie Liu, Fengqiang Nan, Weidong He
Summary: In this paper, a novel nanocomposite energetic material RDX@NGEC was successfully synthesized using electrostatic spraying technology, and its thermal decomposition properties and sensitivity were systematically investigated. The results showed that NGEC was uniformly coated on the surface of RDX, resulting in a significant reduction in particle size and sensitivity. Therefore, this novel nanocomposite energetic material holds potential applications in propellants and explosives.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Materials Science, Paper & Wood
Ling Chen, Fengqiang Nan, Qiang Li, Jianwei Zhang, Guorui Jin, Moru Wang, Xiang Cao, Jie Liu, Weidong He
Summary: In this study, a novel NBC/RDX nanocomposite energetic material with a unique and stable three-dimensional porous network nanostructure was prepared using a sol-gel method and freeze-drying technology. The material exhibited improved thermal properties, decomposition kinetics, and desensitization effect compared to raw RDX and NBC. The study also proposed three reduction sensitivity mechanisms for the material.
Article
Thermodynamics
Yongchen Zhu, Jianwei Zhang, Weidong He
Summary: This study investigates the interaction mechanism between 5-amino-1H-tetrazole and nitrocellulose using kinetic methods and thermal analysis. The results show that the addition of 5-amino-1H-tetrazole affects the pyrolysis process of nitrocellulose and leads to the formation of incomplete oxidation products.
THERMOCHIMICA ACTA
(2023)
Article
Materials Science, Multidisciplinary
Ling Chen, Binbin Wang, Jianwei Zhang, Derong Meng, Fengqiang Nan, Ping Du, Xin Liao, Weidong He
Summary: This study compares the structures of nitrocellulose and two new binders and finds that nitrated bacterial cellulose and nitrate glycerol ether cellulose have advantages in thermal stability and activation energy. Under high-pressure and adiabatic conditions, the new binders also show higher thermal stability and gas production performance.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Ling Chen, Xinfu Cao, Jianbing Gao, Weidong He, Jie Liu, Yingbo Wang, Xiang Zhou, Jinpeng Shen, Binbin Wang, Yao He, Daquan Tan
Summary: In this study, nitrated bacterial cellulose was used to prepare nanocomposite energetic materials through a sol-gel method and freeze-drying technology. The materials exhibited reduced peak temperature and substantial heat release during decomposition. The research also explored the mechanism of thermal decomposition and suggested the presence of cyclic catalytic decomposition between the gel matrix and explosives.
ACS APPLIED NANO MATERIALS
(2021)