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Title: Nitrogen Oxides as a Chemistry Trap in Detonating Oxygen-Rich Materials

Conference ·
DOI:https://doi.org/10.1021/jp501455z· OSTI ID:1150034

Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
DE-AC52-07NA27344
OSTI ID:
1150034
Report Number(s):
LLNL-PROC-658263
Resource Relation:
Journal Volume: 118; Journal Issue: 16; Conference: Presented at: 15th International Detonation Symposium, San Francisco, CA, United States, Jul 13 - Jul 18, 2014
Country of Publication:
United States
Language:
English

References (52)

The heat and products of detonation in a calorimeter of CNO, HNO, CHNF, CHNO, CHNOF, and CHNOSi explosives journal August 1974
Explosives book July 2007
Nitrogen-Rich Heterocycles as Reactivity Retardants in Shocked Insensitive Explosives journal April 2009
Aggregation kinetics of detonation nanocarbon journal May 2012
Some aspects of detonation. Part 2.—Detonation velocity as a function of oxygen balance and heat of formation journal January 1958
The relationship of Impact Sensitivity with Structure of Organic High Explosives. II. Polynitroaromatic explosives journal April 1979
Tris(triazolo)benzene and Its Derivatives: High-Density Energetic Materials journal September 2012
The Stability of Detonation. journal August 1949
Diameter Effect Curve and Detonation Front Curvature Measurements for ANFO conference January 2002
Collateral damage journal February 2004
Advances in science and technology of modern energetic materials: An overview journal March 2008
Synthesis of glycine-containing complexes in impacts of comets on early Earth journal September 2010
Prebiotic Chemistry within a Simple Impacting Icy Mixture journal May 2013
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon journal May 1995
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties journal September 1998
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
First principles simulation of a superionic phase of hydrogen fluoride (HF) at high pressures and temperatures journal July 2006
X-ray scattering intensities of water at extreme pressure and temperature journal April 2007
Ab initio simulation of the equation of state and kinetics of shocked water journal March 2009
Quantum mechanical corrections to simulated shock Hugoniot temperatures journal November 2009
A transient semimetallic layer in detonating nitromethane journal December 2007
Electronic structure of solid nitromethane: Effects of high pressure and molecular vacancies journal July 2002
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations journal October 2013
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths journal October 2013
Ultrafast Shock Initiation of Exothermic Chemistry in Hydrogen Peroxide journal October 2013
Chemical Equilibrium Detonation book September 2011
Exp6-polar thermodynamics of dense supercritical water journal May 2008
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method journal July 2007
Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation journal June 2009
Thermal Properties of the Inhomogeneous Electron Gas journal March 1965
A molecular dynamics method for simulations in the canonical ensemble journal June 1984
Canonical dynamics: Equilibrium phase-space distributions journal March 1985
A Method for Tractable Dynamical Studies of Single and Double Shock Compression journal June 2003
Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression journal May 2008
Analysis of simulation technique for steady shock waves in materials with analytical equations of state journal November 2006
Catalytic behaviour of dense hot water journal March 2009
Extending the Density Functional Tight Binding Method to Carbon Under Extreme Conditions journal November 2011
Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures journal April 2013
Simulations of Shocked Methane Including Self-Consistent Semiclassical Quantum Nuclear Effects journal October 2012
Electron-Ion Coupling in Shocked Energetic Materials journal November 2011
Phase Diagram and Electrical Conductivity of High Energy-Density Water from Density Functional Theory journal July 2006
Anomalous sound propagation and slow kinetics in dynamically compressed amorphous carbon journal January 2010
Ultrafast Detonation of Hydrazoic Acid ( HN 3 ) journal July 2012
Bonding in the Superionic Phase of Water journal May 2005
Modeling of nitrogen oxides formation and destruction in combustion systems journal August 2000
Formation of nitric oxide dimers on MgO-supported gold particles journal December 2012
Very Low Temperature Surface Reaction: N2O Formation from NO Dimers at 70 to 90 K on Ag{111} journal May 1995
A statistical mechanical theory of chemically reacting multiphase mixtures: Application to the detonation properties of PETN journal August 1984
Thermodynamics and diffusion in size-symmetric and asymmetric dense electrolytes journal August 2011
Decomposition of HMX at Extreme Conditions:  A Molecular Dynamics Simulation journal August 2002
Thermal decomposition of energetic materials 58. Chemistry of ammonium nitrate and ammonium dinitramide near the burning surface temperature journal January 1993

Cited By (2)

Reactive flow modeling of the polymer bonded explosive LX-17 double shock experiments journal September 2018
First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors journal April 2016