|Table of Contents|

Modeling and algorithm optimization of global reaction mechanism based on elementary reaction(PDF)

《火箭推进》[ISSN:1672-9374/CN:CN 61-1436/V]

Issue:
2015年01期
Page:
36-42
Research Field:
研究与设计
Publishing date:

Info

Title:
Modeling and algorithm optimization of global reaction mechanism based on elementary reaction
Author(s):
XUE Cheng-you;  NIE Wan-sheng;  HE bo
Equipment Academy, Beijing 101416, China
Keywords:
chemical kinetics;  reduced mechanism;  quasi-steady-state component density;  linear quasi-steady-state approximation
PACS:
V434-34
DOI:
-
Abstract:
Taking chemical kinetic system of kerosene/oxygen as an example, internationally advanced techniques for modeling and computing method of global reaction mechanism based on elementary reaction were introduced, and the whole flow of the process from modeling of global reaction mechanism to solution of the chemical kinetics equations is generalized. Firstly, n-dodecane was chosen to be the substitute fuel of kerosene. Through DRG+CSP mechanism reducing method, the detailed reaction mechanism of 203 components and 738 reactions was simplified to n-dodecane 32 components and 36 reactions. The gained global mechanism considered the underlying elementary reactions, reducing computing cost and chemical stiffness, and maintained high- accuracy at the same time. In order to calculate global reaction velocity, linear quasi-steady-state approximation (LQSSA) method is applied to decouple the guaranteed. At last，the chemical kinetic equation set is solved by VODE rigidity integral solver, and a subroutine which can be coupled with CFD main program is formed for chemical kinetics computation.

References:

[1]黄玉辉. 液体火箭发动机燃烧稳定性理论、数值模拟和实验研究[D]. 长沙: 国防科学技术大学, 2001.
[2] BROWN P N, BYRNE G D, HINDMARSH A C. VODE: a variable-coefficient ODE solver[J]. SIAM Journal of Sci. Stat. Comput., 1989, 10: 1038-1051.
[3]LU T, LAW C K. On the applicability of directed relation graphs to the reductionof reaction mechanisms[J]. Com- bustion and Flame, 2006, 146: 472-483.
[4]LU T, LAW C K. Linear time reduction of large kinetic mechanisms with directed relation graph: n-heptane and iso-octane [J]. Combustion and Flame, 2006 (144): 24-36.

[5]LU T, LAW C K. Systematic approach to obtain analytic solutions of quasi steady state species in reduced mechanisms[J]. Journal of Phys. Chem. A, 2006 (110): 13202-13208.

[6]SCHULZ W D. Oxidation products of a surrogate JP-8 fuel [J]. ACS Petrol Chem Div Prepr, 1991, 37(2): 383-92.
[7]HENEGHAN S P, SCHULZ W D. Static tests of jet fuel thermal and oxidative stability[J]. Propul Power,1993, 9(1): 5-9.
[8]VIOLI A, YAN S, EDDINGS E G, et al. Experimental formulation and kinetic model for JP-8 surrogate mixture [J]. Combust Sci Technol, 2002, 174(11/12): 399-417.
[9]COOKE J A, BELLUCCI M, SMOOKE M D, et al. Computational and experimental study of JP-8, a Surrogate, and its components in counterflow diffusion flames[J]. Proc Combust Inst, 2005, 30: 439-46.
[10]AGOSTA A, CERNANSKY N P, MILLER D L, et al. Reference components of jet fuels: kinetic modeling and experimental results[J]. Exp Therm Fluid Sci, 2004, 28(7): 701-708.
[11]HUA Xiao-xiao, WANG Jing-bo, WANG Quan-de, Mechanism construction and simulation for the high- temperature combustion of n-dodecane [J]. Acta Phys. Chim. Sin, 2011, 27: 2755-2761.
[12]EBERIUS H, FRANK P, KICK T, et al. Project com- putational fluid dynamics for combustion, GRD1-1999- 10325 [R]. [S.l.]: GRD, 1999..
[13]方亚梅, 王全德, 王繁, 等. 正十二烷高温燃烧详细化学动力学机理的系统简化[J]. 物理化学学报, 2012, 28(11): 2536-2542.

Memo

Memo:
-
Last Update: 1900-01-01