An Eigenvalue Method for Computing the Burning Rates of RDX Propellants

Prasad, Kuldeep; Yetter, Richard A.; Smooke, Mitchell D.

doi:10.1080/00102209708935640

Cited by 78 publications

(58 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Other elementary gas-phase reaction RDX models combining evaporation and liquid-phase reactions include those of Liau and Yang (4), Davidson and Beckstead (5), and Prasad et al (19). The last of these works, though sharing most of the same condensed-and gas-phase reactions as the first two, is a semi-empirical model, requiring the experimental value of the surface temperature to obtain the burning rate, and will not be discussed here.…”

Section: Rdxmentioning

confidence: 99%

Burning-Rate Models and Their Successors: A Personal Perspective

Miller¹

2003

View full text Add to dashboard Cite

Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing the burden, ARL-TR-2996 SPONSOR/MONITOR'S ACRONYM(S) 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES) SPONSOR/MONITOR'S REPORT NUMBER(S) DISTRIBUTION/AVAILABILITY STATEMENTApproved for public release; distribution is unlimited. SUPPLEMENTARY NOTES ABSTRACTThe development of models to compute the burning rate of energetic materials has undergone a paradigm shift in the last 15 years from treating the gas-phase reactions as a few global reactions to attempting to describe all of the elementary reactions involved. This shift toward chemical specificity has brought the promise of true predictive capability in such models. Thwarting this promise, however, has been the unattainability of treating the condensed-phase and surface processes with commensurate detail and assurance. In this work, it is shown that limited predictability has recently been achieved by a semiempirical finesse of the condensed-phase reactions and surface gasification through the agency of a universal pyrolysis law for certain families of propellant ingredients. It is also argued that the long-range prognosis for generalized predictability arising from a first-principles three-phase model lies with developing submodels for the condensed-phase and surface phenomena based on molecular dynamics (MD). However, since a continuum description of the gas-phase processes will always be preferable, the mating of these MD submodels with the continuum gas-phase description will be a non-trivial research issue. To facilitate the coming dialogue between current continuum modelers and future MD modelers, this work describes the conceptual and mathematical basis of the continuum models in considerable detail. It is suggested that the mating of these disparate descriptions might be accomplished by developing simple, idealized continuum submodels whose parameters and assumptions might be justified by the MD submodels. An example of such a continuum submodel is developed for the process of multicomponent evaporation as a surface-gasification mechanism. ii SUBJECT TERMS

show abstract

Section: Rdxmentioning

confidence: 99%

Burning-Rate Models and Their Successors: A Personal Perspective

Miller¹

2003

View full text Add to dashboard Cite

show abstract

“…[19][20][21] The forward abstraction reaction ͓Eq. ͑6͔͒ is of interest in the study of rocket fuel propellants, 22 and the reverse abstraction reaction is relevant to the pyrolysis of ammonia. 23 Most experimental studies of the forward and reverse abstraction reactions have been focused on reaction rate constants.…”

Section: A Background Of N C and O Reactionsmentioning

confidence: 99%

Growing multiconfigurational potential energy surfaces with applications to X+H2 (X=C,N,O) reactions

Netzloff

Collins

Gordon

2006

The Journal of Chemical Physics

View full text Add to dashboard Cite

A previously developed method, based on a Shepard interpolation procedure to automatically construct a quantum mechanical potential energy surface (PES), is extended to the construction of multiple potential energy surfaces using multiconfigurational wave functions. These calculations are accomplished with the interface of the PES-building program, GROW, and the GAMESS suite of electronic structure programs. The efficient computation of multiconfigurational self-consistent field surfaces is illustrated with the C+H2, N+H2, and O+H2reactions. KeywordsSurface states, Hydrogen reactions, Interpolation, Potential energy surfaces, Exchange reactions Disciplines Chemistry CommentsThe following article appeared in Journal of Chemical Phsyics 124, 154104, and may be found at doi:10.1063/ 1.2185641. Growing multiconfigurational potential energy surfaces with applications to X + H 2 "X = C , N , O… reactions A previously developed method, based on a Shepard interpolation procedure to automatically construct a quantum mechanical potential energy surface ͑PES͒, is extended to the construction of multiple potential energy surfaces using multiconfigurational wave functions. These calculations are accomplished with the interface of the PES-building program, GROW, and the GAMESS suite of electronic structure programs. The efficient computation of multiconfigurational self-consistent field surfaces is illustrated with the C + H 2 , N+H 2 , and O + H 2 reactions.

show abstract

“…In the current study, R3 which was employed in Beckstead's model is also employed as a source for soot formation. Gas phase full kinetics with 64 chemical species, 443 elemental reactions based on Yetter's RDX mechanism 9) , GRI-mec 3.0 10) , and Acetaldehyde pyrolysis mechanism 11,12) is employed in this study. The detailed whole set of the kinetics scheme can be downloaded at the author web site 13) .…”

Section: Meltingmentioning

confidence: 99%

Tetra-ol Glycidyl Azide Polymer Combustion Modeling

Wada¹,

Tsutsumi

Seike

et al. 2009

Trans. JSASS Space Tech. Japan

View full text Add to dashboard Cite

Tetra-ol glycidyl azide polymer (GAP) is one of the best candidates for the solid fuel of gas hybrid rocket system because of self-combustibility and high heat of formation. Combustion model of GAP was developed by Beckstead et al. and they applied it to tri-ol GAP successfully. We have applied this model to tetra-ol GAP as an initial attempt, and numerical simulation showed that maximum temperatures in the gas phase exceeded those of experimental results significantly, and calculated burning rates were much higher than strand burner data, thus, modification of the model taking account of combustion incompleteness was found to be necessary. Modifications of combustion model were made taking the residue analysis results into account as Blow Off Mechanism. Simulated final temperature in the gas phase and burning rate are lowered effectively and coincide well with experimental data adjusting kinetic parameters.

show abstract

An Eigenvalue Method for Computing the Burning Rates of RDX Propellants

Cited by 78 publications

References 38 publications

Burning-Rate Models and Their Successors: A Personal Perspective

Burning-Rate Models and Their Successors: A Personal Perspective

Growing multiconfigurational potential energy surfaces with applications to X+H2 (X=C,N,O) reactions

Tetra-ol Glycidyl Azide Polymer Combustion Modeling

Contact Info

Product

Resources

About