Multi-phase Explosion Detonation and JWL EOS Parameters Numerical Calculation He Ning1,a , Zhang Qi2,b 1 2 North China Univ. of Science and Technology, Yanjiao 101601, Beijing, China Beijing Institute of Technology, National Key Laboratory of Explosion Science and Technology, Beijing, 100081, China a ning_95@yahoo.com.cn, bqizhang@bit.edu.cn Keywords: Multi-phase Explosion, JWL EOS, Detonation parameter, Numerical simulation Abstract. According to the chemical balance and the minimum free energy principle calculate explosive products and Detonation parameters, and then BKW equation was utilized to calculate JWL EOS parameters. Visualization software of Detonation and JWL EOS parameters was development, which was provided with favorable user interface. The calculation results and experimental data were basically consistent. The paper solved the bottleneck problems regarding the technology of numerical simulation of dynamic response and damage effect of Multi-phase explosion of explosive hazard sources. Introduction With the development of computer technology, the calculation could be programmed and the results are given quick and easy. As it is complicated to define the constitutive equation, it is impossible to numerically simulate the process of damage effect of explosion for most substances of explosive hazard. In existing calculation of dynamic response of explosion, data regarding the EOS parameters of a few typical explosives are available. For explosive substances with substantial differences in characteristics of explosion energy, there will be great error if the method of TNT equivalent is used to analyze response of explosion in the near-by area of the explosion. As a result, it is the pressing fundamental problem in the fields of explosion science to obtain the constitutive equation of general explosive substance hazard. Some scientists have tried, but no mature method is found. It is still the basic problem in the front of explosion science to obtain constitutive equation of explosion from the components of explosive substances directly. Numerical Calculation of Detonation and JWL EOS Parameters Detonation is a limit state of explosion. According to the chemical balance and the minimum free energy principle calculate explosive products and Detonation parameters. p c2 2 2 S , Considering the C-J point, which can be derived: Sonic after wave front is u1 p2 2 c2 1 1 1 1 / 2 S u1 2 2 R2T2 1 According to isentropic gas relation is: (1) (2) This is a very useful formula, but because of the unknown parameters of the region already, it still cannot determine the Temperature. The physical state of conservation of energy of the fired zone is 1 p2 p1 1 1 q H 2 H1 2 1 2 determined by the Hugoniot equation: (3) JWL equation of state (EOS) was advanced by Lee E.L. with Lawrence Livermore National Laboratory in 1965 based on the work of Jones and Wilkins[1].“Cylinder test” is generally required to solve the six parameters of Detonation and JWL EOS[2]. Fluid dynamic programme can also be used to calculate the process of cylinder test through numerical simulation[3]. For expensive or newly-developed explosive, such definition of parameters is more difficult. Therefore, it is the fundamental problem confronting the field of explosion science to obtain constitutive equation of explosion directly from the components of explosive substances. Both the field of explosion science and the field of public security are in urgent need of a more convenient and effective numerical calculation method to calculate JWL EOS parameter of explosives. JWL EOS is as follows: P A1 R1V R1V e B1 R2V R2V E e V (4) Where, P refers to the pressure of detonation products; V refers to relative specific volume of the detonation products; E refers to specific thermodynamic energy; subscript s refers to the isentropic process; A , B , C , R1 , R2 , and refer to the six JWL EOS parameters to be defined[4]. D P E Given explosion velocity J , explosion pressure J , and chemical energy 0 , of the given explosive, the relation between the JWL EOS parameters can be obtained according to the CJ condition and the conservation relation of mass, momentum, and energy. According to CJ P S 0 D 2 V VJ condition , it can be obtained that: AR1e R1VJ BR2e R2VJ C1 VJ Where, VJ / 1 and 0 D / PJ 1 2 J 1 0 D 2 (5) , it can be obtained from the Hugoniot relation that: A R1VJ B R2VJ C 1 e e VJ E0 PJ 1 VJ R1 R2 2 (6) CJ isentropic line passes through CJ point. Therefore, Ae R1VJ Be R2VJ CVJ 1 pJ (7) The specific procedures are as follows: First, define physical parameters of the explosive, such as composition, heat of formation, and density. Second, assuming a pressure P and a temperature T; then, P and T based on assumed equilibrium calculation of the component (wave-front surface of the composition of detonation products); then, according to energy conservation, the calculation of the energy balance of heat and pressure, if not satisfied, return to “Assuming a pressure P and a temperature T “again to find suitable pressure P and temperature T; If meet the equilibrium conditions, the results obtained; then obtained by calculating the P, T calculated detonation velocity and other detonation parameters. Last, substitute CJ detonation parameter calculated by BKW EOS into JWL equation and its relation equations (4), (5), and (6), and iterate repeatedly till differences between the left and right of the four equations are less than a given value. If there are negative values in iteration, they shall be Aig Ai j corrected by the damping factor , so as to ensure smooth proceeding of iteration. If i , g g g j Z i Ai i Ai ( Ai Ai ) , and Z i will be regarded as the initial value of next iteration. Development of Visualization Software of Detonation and JWL EOS Parameters Visualization software was furnished with direct and concise interface. Any one who is familiar with simple operation of computer may learn the use of the software as quickly as learning the simple office software such as note. The software employed graphic user interface for input, and required parameters have been provided with default value. User may make corresponding modifications to perform new calculation. The specific calculation process is as follows: (1) Input initial environmental parameters: environmental parameters include initial temperature and pressure, whose default values are 298 K and 1 atm. (2) Input parameters of the explosive: input formation heat and density of the explosive, whose default values are 73220J/mol and 1.64g/cm3. In the graphic user interface, the explosive may comprise multiple elements. Taking TNT for example as shown in Fig. 1 and Fig. 2 , 1 mol TNT contains 7 mol C, 5 mol H, 6 mol O, and 3 mol N, which were parameters to be input. Content of other elements was 0 mol. Fig.1 Software Interface Fig.2 Software results Discussion JWL EOS parameters of TNT explosive are obtained utilizing the numerical calculation method provided in this paper. The calculation results basically agree with the experimental results after the comparison between the calculation results and the experimental results provided in [5] (see Table 1 and Table 2). Table 1 The JWL EOS parameters of TNT explosive Explosive TNT1[7] A/GPa 3.712 B/GPa 0.03231 C/GPa 4.15 R1 0.95 R2 0.3 TNT2 3.85 0.04 4.2 1.21 0.3 Note: TNT1 includes the data provided in [6], while TNT2 includes the data calculated by this software. Table 2 The relative error of JWL EOS parameters of TNT explosive (unit:% ) Explosive A B R1 R2 TNT 3.4 23.8 1.2 27.3 0 Two groups of JWL EOS parameters of TNT explosives are embedded in DYAN for numerical simulation and the calculation model is shown in Fig. 3. Fig.4 shows the dimensional schematic diagram of the model, and Fig. 5 and Fig. 6 show the pressure and displacement of the same point on steel plate. Fig.3 Calculation model Fig.4 Schematic diagram of model Fig.5 Pressure of the same point on steel plate Fig.6 Displacement of the same point on steel plate Conclusions This paper numerically calculates Detonation and JWL EOS parameters of Multi-phase explosive and develops visualization of detonation parameters and Detonation and JWL EOS parameters. Verified by examples, the numerical calculation results basically agree with the experimental results, and the error range meets the actual engineering requirements. Numerical calculation of Detonation and JWL EOS parameters can apply to explosives containing 11 elements, namely, C, H, O, N, Cl, F, S, Na, K, Al, and Mg. It solves of the problem regarding calculation of detonation parameters of explosive containing only C, H, O, and N with the help of preceding programs and lays foundation for research and application of explosives containing multiple elements. The Detonation and JWL EOS parameters of explosives, reduces experimental consumption to define parameters, and solves the bottleneck problems regarding simulation technology of dynamic response and destruction value of explosion of general hazardous explosive sources. Acknowledgement It is a project supported by the National Natural Science Foundation(107720229). References [1] Jacobs S J. On the equation of state for detonation products at high desity.12th Symposium (International) on Combustion, Pittsburgh. The Combustion Institute, 1969. [2] Chen Lang, Long Xinping, Feng Changgen, and Jiang Xiaohua. Detonation of Aluminized Explosive [M]. National Defense Industry Press, 2004, 6:42. [3] Sun Chengwei, WeiYuzhang, and Zhou Zhikui. Applied Detonation Physics [M]. National Defense Industry Press, 2000, 12:292-293. [4] Kury J W,et al.Metal Acceleration by Chemical Explosives,4th Symp. on Detonation, 1965:3-13. [5] Zhang Guanren and Chen Danian. Initiation Dynamics of Condensed Explosive [M]. National Defense Industry Press, 1991, 9:134.