Guo et al., 2016 - Google Patents
Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamicsGuo et al., 2016
View HTML- Document ID
- 11351915351513198850
- Author
- Guo D
- Zybin S
- An Q
- Goddard III W
- Huang F
- Publication year
- Publication venue
- Physical Chemistry Chemical Physics
External Links
Snippet
The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman–Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained …
- 238000005474 detonation 0 title abstract description 42
Classifications
-
- C—CHEMISTRY; METALLURGY
- C06—EXPLOSIVES; MATCHES
- C06B—EXPLOSIVES OR THERMIC COMPOSITIONS; MANUFACTURE THEREOF; USE OF SINGLE SUBSTANCES AS EXPLOSIVES
- C06B31/00—Compositions containing an inorganic nitrogen-oxygen salt
- C06B31/28—Compositions containing an inorganic nitrogen-oxygen salt the salt being ammonium nitrate
- C06B31/30—Compositions containing an inorganic nitrogen-oxygen salt the salt being ammonium nitrate with vegetable matter; with resin; with rubber
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| Guo et al. | Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics | |
| Zhang et al. | Carbon cluster formation during thermal decomposition of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine and 1, 3, 5-triamino-2, 4, 6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations | |
| Guo et al. | The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics | |
| Sikder et al. | Important aspects of behaviour of organic energetic compounds: a review | |
| Wen et al. | Cluster evolution at early stages of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene under various heating conditions: a molecular reactive force field study | |
| Feng-Qi et al. | Thermochemical properties and non-isothermal decomposition reaction kinetics of 3, 4-dinitrofurazanfuroxan (DNTF) | |
| Liu et al. | ReaxFF molecular dynamics simulations of shock induced reaction initiation in TNT | |
| Yang et al. | Reactive molecular dynamics simulation of the thermal decomposition mechanisms of 4, 10-dinitro-2, 6, 8, 12-tetraoxa-4, 10-diazatetracyclo [5.5. 0.05, 9.03, 11] dodecane (TEX) | |
| Zhou et al. | Predicted detonation properties at the Chapman–Jouguet state for proposed energetic materials (MTO and MTO3N) from combined ReaxFF and quantum mechanics reactive dynamics | |
| Joshi et al. | Observation of deflagration wave in energetic materials using reactive molecular dynamics | |
| Li et al. | Multistage reaction pathways in detonating high explosives | |
| Manaa et al. | Explosive chemistry: Simulating the chemistry of energetic materials at extreme conditions | |
| Keshavarz et al. | Determination of performance of non-ideal aluminized explosives | |
| Junying et al. | Reactive Molecular Dynamics Simulations of the Thermal Decomposition Mechanism of 1, 3, 3‐Trinitroazetidine | |
| Bai et al. | ReaxFF/lg molecular dynamics study on thermal decomposition mechanism of 1-methyl-2, 4, 5-trinitroimidazole | |
| Miao et al. | Shock initiation experiments with modeling on a DNAN based melt-cast insensitive explosive | |
| Pepekin et al. | Heat of explosion of commercial and brisant high explosives | |
| Suceska et al. | Using thermochemical code EXPLO5 to predict the performance parameters of explosives | |
| Li et al. | A new method for predicting the detonation velocity of explosives with micrometer aluminum powders | |
| Zhang et al. | A predictive method for the heat of explosion of non-ideal aluminized explosives | |
| Jiang et al. | Evaluating shock sensitivity and decomposition of energetic materials by ReaxFF molecular dynamics | |
| Yang et al. | Studies on the thermal behavior and safety of a novel thermostable explosive BPTAP | |
| Sha et al. | Reaction mechanism of hydrogen peroxide enhancing detonation performance in the host-guest structure of CL-20 by reactive molecular dynamics simulations | |
| Yuan et al. | Raman spectra and vibrational properties of FOX-7 under pressure and temperature: First-principles calculations | |
| Zhao et al. | Effect of the Al/O ratio on the Al reaction of aluminized RDX-based explosives |