Development and applications of large-scale and high order accurate simulation software for hazardous chemical explosion

doi:10.16265/j.cnki.issn1003-3033.2022.09.2692

Abstract

Abstract:

In order to accurately simulate the temporal and spatial evolution of explosion propagation of multi-component and multiphase hazardous chemicals in large-scale chemical parks, urban buildings (structures), refueling/gas stations and other scenarios, based on the multi-component reactive Navier-Stokes governing equation, high order accurate positive-preserving weighted essential non-oscillatory finite difference scheme and, Compact-WENO hybrid finite difference scheme and other advanced numerical schemes were developed. Combining with efficient acceleration algorithms such as adaptive mesh refinement method, adaptive mesh enlargement method and MPI parallel computing method, a high order accurate finite difference solver for hazardous chemical explosion was independently developed by Fortran language. Using C++ language based on object-oriented programming method, the pre-processing and post-processing modules for finite difference scheme were developed. Integrating high order accurate solver, pre-processing and post-processing modules, large-scale high order accurate simulation software for hazardous chemical explosion was carried out. The results show that the software can simulate the chemical reaction model containing any kind of components, and has a variety of turbulence and turbulent combustion models. It can realize the numerical simulation of the whole process of hazardous chemical leakage-diffusion-explosion.

Key words: hazardous chemicals explosion, high precision simulation software, high order finite difference scheme (HFD), large-scale parallel computing, turbulent combustion

WANG Cheng, QIAN Chengeng, ZHANG Wenyao, GU Gongtian, CUI Yangyang. Development and applications of large-scale and high order accurate simulation software for hazardous chemical explosion[J]. China Safety Science Journal, 2022, 32(9): 20-28.

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References 32

[1]	ZHENG Xue, WANG Bing, ZHAO Yunmeng, et al. A knowledge graph method for hazardous chemical management: ontology design and entity identification[J]. Neurocomputing, 2021, 430(21): 104-111. doi: 10.1016/j.neucom.2020.10.095
[2]	王志荣, 孙培培, 唐振华, 等. 密闭容器甲烷-空气混合物爆炸的尺寸效应[J]. 中国安全科学学报, 2021, 31(1): 60-66. doi: 10.16265/j.cnki.issn 1003-3033.2021.01.009
	WANG Zhirong, SUN Peipei, TANG Zhenhua, et al. Size effect of methane-air mixture explosion in closed vessel[J]. China Safety Science Journal, 2021, 31(1): 60-66. doi: 10.16265/j.cnki.issn 1003-3033.2021.01.009
[3]	SINGH J. Gas explosions in single and compartmented vessels[D]. London: University of London, 1978.
[4]	刘如成, 朱云飞. 煤矿长壁工作面瓦斯爆炸全尺寸模拟[J]. 中国安全科学学报, 2018, 28(12): 58-64. doi: 10.16265/j.cnki.issn1003-3033.2018.12.010
	LIU Rucheng, ZHU Yunfei. Full-scale simulation of gas explosion at longwall coalface in coalmine[J]. China Safety Science Journal, 2018, 28(12): 58-64. doi: 10.16265/j.cnki.issn1003-3033.2018.12.010
[5]	JONES W P, LAUNDER B E. The prediction of laminarization with a two-equation model of turbulence[J]. International Journal of Heat and Mass Transfer, 1972, 15(2): 301-314. doi: 10.1016/0017-9310(72)90076-2
[6]	BRAY K N C. Studies of turbulent burning velocity[J]. Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, 1990, 431:315-335.
[7]	BORIS J P, BOOK D L. Solution of continuity equations by the method of flux-corrected transport[J]. Methods in Computational Physics Advances in Research & Applications, 1976, 16:85-129.
[8]	LAUNDER B E, SPALDING D P. The numerical computation of turbulent flows[J]. Computer Methods in Applied Mechanics and Engineering, 1974, 3: 269-289. doi: 10.1016/0045-7825(74)90029-2
[9]	PATANKAR S V. Numerical heat transfer and fluid flow[M]. Florida: CRC Press, 1980: 79-109.
[10]	CHAPMAN T C, ROSE T A, SMITH P D. Blast wave simulation using AUTODYN2D: a parametric study[J]. International Journal of Impact Engineering, 1995, 16(5):777-787. doi: 10.1016/0734-743X(95)00012-Y
[11]	WHIRLEY R G, ENGELMANN B E. Recent developments in DYNA3D for impact problems[J]. Nuclear Engineering and Design, 1992, 138(1): 11-22. doi: 10.1016/0029-5493(92)90274-Y
[12]	NOR M, HO C S, MAAT N, et al. Modelling shock waves in composite materials using generalised orthotropic pressure[J]. Continuum Mechanics and Thermodynamics, 2020, 32(4): 1217-1229. doi: 10.1007/s00161-019-00835-6
[13]	HALLQUIST J O, WAINSCOTT B, SCHWEIZERHOF K. Improved simulation of thin-sheet metalforming using LS-DYNA3D on parallel computers[J]. Journal of Materials Processing Technology, 1995, 50: 144-157. doi: 10.1016/0924-0136(94)01376-C
[14]	GOODWIN D G. An open-source, extensible software suite for CVD process simulation[J]. Chemical Vapor Deposition XVI and EUROCVD, 2003, 14(40): 2003-2008.
[15]	SMAGORINSKY J. General circulation experiments with the primitive equations[J]. Monthly Weather Review, 1963, 91: 99-164. doi: 10.1175/1520-0493(1963)091【-逻辑与-】lt;0099:GCEWTP【-逻辑与-】gt;2.3.CO;2
[16]	NICOUD F, DUCROS F. Subgrid-scale stress modelling based on the square of the velocity gradient tensor[J]. Flow Turbulence and Combustion, 1999, 62 (3): 183-200. doi: 10.1023/A:1009995426001
[17]	CHARLETTE F, CHARLES M, DENIS V. A power-law flame wrinkling model for LES of premixed turbulent combustion Part II: dynamic formulation[J]. Combustion and Flame, 2002, 131: 181-197. doi: 10.1016/S0010-2180(02)00401-7
[18]	WANG Cheng, BI Yong, HAN Wenhu, et al. Large-scale parallel computing for 3D gaseous detonation[J]. Procedia Engineering, 2013, 61: 276-283. doi: 10.1016/j.proeng.2013.08.016
[19]	LI Peng, DON Waisun, WANG Cheng, et al. High order positivity-and bound-preserving hybrid compact-weno finite difference scheme for the compressible Euler equations[J]. Journal of Scientific Computing, 2018, 74(2): 640-666. doi: 10.1007/s10915-017-0452-5
[20]	TORO E F. Riemann solvers and numerical methods for fluid dynamics[M]. Berlin Heidelberg: Springer, 2009: 426-439.
[21]	RANGO S D, ZINGG D W. Aerodynamic computations using a higher-order algorithm[J]. AIAA, 1999, 99 (167): 1296-1304.
[22]	GOTTLIEB S, SHU Chiwang, TADMOR E. Strong stability-preserving high-order time discretization methods[J]. SIAM Review, 2001, 43: 89-112. doi: 10.1137/S003614450036757X
[23]	CHRISTOPHER A K, CARPENTER H M. Additive Runge-Kutta schemes for convection-diffusion-reaction equations[J]. Applied Numerical Mathematics, 2003, 44 (1): 139-181. doi: 10.1016/S0168-9274(02)00138-1
[24]	BAUM M, POINSOT T, THEVENIN D. Accurate boundary conditions for multicomponent reactive flows[J]. Journal of Computational Physics, 1994, 116: 247-261. doi: 10.1006/jcph.1995.1024
[25]	MA Tianbao, WANG Cheng. Parallel simulation of explosion in an unlimited atmosphere[J]. Modern Physics Letters B, 2010, 24(13):1349-1352. doi: 10.1142/S0217984910023591
[26]	WANG Cheng, NING Jianguo, MA Tianbao. Numerical simulation of detonation and multi-material interface tracking[J]. Cmc-Computers Materials & Continua, 2011, 22 (1):73-95.
[27]	王成, 孔泽宇, 李涛, 等. 二维任意凸四边形网格的MoF界面重构解析算法[J]. 北京理工大学学报, 2021, 41(4): 380-387.
	WANG Cheng, KONG Zeyu, LI Tao, et al. Analytic calculation of MoF interface reconstruction on 2D arbitrary convex quadrangle grids[J]. Transactions of Beijing Institute of Technology, 2021, 41(4): 380-387.
[28]	WANG Cheng, DING Jianxu, SHU Chiwang, et al. Three-dimensional ghost-fluid large-scale numerical investigation on air explosion[J]. Computers & Fluids, 2016, 137: 70-79. doi: 10.1016/j.compfluid.2016.07.015
[29]	WANG Wanli, WANG Cheng, YANG Tonghui, et al. A friction interface model for multi-material interactions in a Eulerian framework[J]. Journal of Computational Physics, 2020, 433:DOI: 10.1016/j.jcp.2020.110057. doi: 10.1016/j.jcp.2020.110057
[30]	WANG Cheng, DONG Xinzhuang, SHU Chiwang. Parallel adaptive mesh refinement method based on WENO finite difference scheme for the simulation of multi-dimensional detonation[J]. Journal of Computational Physics, 2005, 298: 161-175. doi: 10.1016/j.jcp.2015.06.001
[31]	LI Tao, WANG Cheng, YANG Tonghui, et al. A novel construction method of computational domains on large-scale near-ground explosion problems[J]. Journal of Computational Physics, 2020, 407:DOI: 10.1016/j.jcp.2019.109226. doi: 10.1016/j.jcp.2019.109226
[32]	傅智敏, 黄金印, 臧娜. 爆炸冲击波上海破坏作用定量分析[J]. 消防科学与技术, 2009, 28(6):390-395.
	FU Zhimin, HUANG Jinyin, ZANG Na. Quantitative analysis for consequence of explosion shock wave[J]. Fire Science and Technology, 2009, 28(6): 390-395.

压力阈值/kPa	损伤情况
[5, 15]	门框玻璃部分损坏
(15, 20]	窗框损坏
(20, 50]	墙体产生裂纹
(50, 70]	木制厂房折断
(70, 100]	砖墙倒塌
(100, 200]	钢筋混凝土结构破坏
(200, 300]	大型钢架结构破坏