JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2014
·Vol. 119
·期 1
·205-212
·
IF 2.206
Yang Ting,Chen Liping,Chen Wanghua,Zhou Yishan,Gao Haisu,Zhong Tingting
2-Ethylhexyl nitrate (EHN) is an important material, which is produced by concentrated HNO 3 –H 2 SO 4 nitration process. But EHN is not a stable material, especially mixed with acids. To analyze the stability of EHN with concentrated acid under serious condition, four samples (pure EHN, concentrated sulfuric acid with EHN, concentrated nitric acid with EHN, and mixed acid with EHN) and three acids (sulfuric acid, nitric acid, and mixed acid) were measured by differential scanning calorimeter (DSC) and accelerating rate calorimeter (ARC) in this paper. The results indicated that concentrated sulfuric acid, concentrated nitric acid, and mixed acid all could decrease the onset decomposition temperature of EHN, especially concentrated sulfuric acid. DSC results also showed that the heat of EHN decomposition with nitric acid is larger than other samples. Based on ARC data, the kinetic parameters and T
D24 (temperature at which TMR
ad is 24 h) were calculated. The activation energy and T
D24 of the EHN with acids, especially with concentrate sulfuric acid, were much lower than the pure EHN. It can be concluded that acids could decrease the stability of EHN and that is an important reason for frequent accidents.
研究领域:
物理化学
·
安全工程
·
材料化学
·
热分析
·
危险品管理
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Pengshuai Zhang,Ruping Ge,Chunxia Jin,Jixiu Deng,Feiyang Dai,Yameng Wan,Beibei Zhang,Shuwei Yu,Xing Li,En Zhang,Lan Zhang,Lu Zhang
The mole fraction solubility of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethenone (1-HPE) in twelve mono-solvent systems namely “2-methoxyethanol (2-ME), methanol (MeOH), ethanol (EtOH), butan-1-ol ( n -BuOH), 2-propoxyethanol (2-PE), propan-2-ol ( i -PrOH), 2-methylpropan-1-ol ( i -BuOH), Acetonitrile (MeCN), ethane-1,2-diol (EG), 2-ethoxyethanol (2-EE), propan-1-ol ( n -PrOH), 2-butoxyethanol (2-BE)” were determined from 283.15 K to 323.15 K under 0.1 MPa. The experimental solubility order follows: 2-ME > 2-EE > 2-PE > 2-BE > MeOH > EtOH > n -PrOH > i -PrOH ≈ n -BuOH > i -BuOH ≈ MeCN > EG. The UNIQUAC model, modified Apelblat model, NRTL model, Wilson model, Jouyban model and NRTL-SAC model equation were used to correlate of 1-HPE solubility, and the average 10 4 RMSD of them was 0.89, 1.21, 0.94, 4.72, 0.60 and 1.25, respectively. Furthermore, Hansen solubility parameters analysis (HSP) was used to evaluate the miscibility of 1-HPE in the selected solvents. Hirshfeld surface (HS) analysis was performed to discuss the electrostatic features and the patterns of intermolecular interactions of 1-HPE. Thermodynamic properties (Δ mix G , Δ mix S , Δ mix H , Δ dis G , Δ dis S , Δ dis H ) were calculated by the UNIQUAC model. The calculated results indicated that the dissolution and mixing process of 1-HPE in the mono-solvents selected in this work was spontaneous and entropy increment.
✓ 已验证
产品关联
DOI
高影响因子
COMBUSTION AND FLAME
·
2024
·
IF 5.8
Huiming Sun,Song Guo,Shuyi Shen,Renming Pan,Yitao Liu,Le Wang
Nitrogen-containing compounds are widely used as raw materials or intermediates in industries such as pharmaceuticals, dyes, explosives, and plastics. However, there is a lack of reliable and effective research methods for accurately predicting the consequences of accidents involving hazardous nitrogenous chemicals. This paper presents a novel method for simulating the combustion characteristics of nitrogen-containing hazardous chemicals, such as Hexogen (RDX) and Octogen (HMX), using multi-component gaseous small molecule fuels. The method relies on a theoretical modeling approach and numerical simulation to predict the behavior of intermediate combustion products. Key advancements include establishing a standard modeling method identifying 11 different small molecule components, and creating predictive model libraries through combinatorial methods. This approach moves away from traditional target matching by calculating proportion coefficients for each component based on their contribution to ignition characteristics. The feasibility and accuracy of this method were validated through experiments using a microscale calorimeter (MCC), demonstrating a high correlation (0.9981) between experimental results and model predictions. This method was found particularly effective for real-time prediction of thermal hazards in high-rise building scenarios, exemplified by 2-Ethylhexyl nitrate (EHN). The paper concludes with the identification of optimal multi-component models for RDX and HMX, highlighting the significant role of hydrogen cyanide (HCN) and unsaturated hydrocarbons in these models.
✓ 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）