CN112115631B - Simulation method for predicting thermal response of HMX-based explosive - Google Patents

Simulation method for predicting thermal response of HMX-based explosive Download PDF

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CN112115631B
CN112115631B CN202010858629.5A CN202010858629A CN112115631B CN 112115631 B CN112115631 B CN 112115631B CN 202010858629 A CN202010858629 A CN 202010858629A CN 112115631 B CN112115631 B CN 112115631B
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吴琴钟
王炅
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Nanjing University of Science and Technology
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Abstract

The invention discloses a simulation method for predicting thermal response of an HMX-based explosive, which specifically comprises the following steps: firstly, establishing a HMX-based explosive geometric model with a shell; then, dividing grids according to the shape characteristics of the geometric model to obtain a grid model; then, establishing an HMX-based explosive heat conduction calculation model by combining the written specific heat capacity, heat conductivity coefficient, self heat source item, mass fraction of each component and external heating rate subfunction; and finally, solving a heat conduction model to obtain the thermal response results of the ignition time, the ignition position and the like of the HMX-based explosive. The method establishes a calculation model comprising explosive property parameters changing along with temperature and multi-step thermal decomposition reaction of the HMX-based explosive, more specifically and truly reflects the thermal decomposition process of the HMX-based explosive, and improves the accuracy of thermal response calculation of the HMX-based explosive.

Description

Simulation method for predicting thermal response of HMX-based explosive
Technical Field
The invention belongs to the field of thermal safety of an HMX-based explosive, and particularly relates to a simulation method for predicting thermal response of the HMX-based explosive.
Background
Researchers often focus on the destructive performance of ammunition in the early stages of explosive design, ignoring the safety design of explosives. The explosive may respond to accidental excitation such as heat, mechanical impact and the like during production, storage, transportation and service, and can cause serious damage to fighters and weapon launching platforms. The greater likelihood of explosive response to thermal stimuli has prompted recognition of the importance of thermal safety of explosives. The fire-baking experiment is used for researching the response condition of the explosive under different thermal environments, and although the real process of the explosive under the action of the thermal environment can be observed through the experiment, the fire-baking experiment has the defects of high cost, long time consumption and high risk. With the development of computer technology, numerical simulation technology is also often used in the research on the thermal safety of explosives. Through numerical simulation, details which cannot be observed in an experiment can be obtained, such as: the temperature distribution, the ignition position, the ignition temperature and the like in the explosive, and simultaneously shortens the research period and reduces the research cost.
Foreign scholars usually use professional software such as ALE3D software to simulate the response of explosives in a hot environment, but the source codes of the explosives are difficult to obtain. The national scholars usually use commercial software such as Fluent software to simulate the thermal response condition of the explosive, but need to write programs by utilizing a secondary development interface to realize the calculation of the thermal decomposition process of the explosive. Response characteristic simulation of the existing explosive to be predicted in a thermal environment has certain defects, for example, a single-step zero-order reaction rate equation is adopted to describe the thermal decomposition reaction of the explosive; assuming that the physical property parameter of the material is a fixed value; the influence of the change of the intermediate components and the consumption of the reactants on the thermal decomposition process of the explosive is ignored. These all affect the accuracy of the calculated results.
Disclosure of Invention
The invention aims to provide a simulation method for predicting thermal response of an HMX-based explosive, which provides theoretical reference for thermal safety evaluation and thermal protection design of the HMX explosive.
The technical solution for realizing the purpose of the invention is as follows: a simulation method for predicting thermal response of an HMX-based explosive is characterized in that the HMX-based explosive is provided with a shell, and the method comprises the following specific steps:
the method comprises the following steps: establishing a three-dimensional model of the HMX-based explosive and a three-dimensional model of an HMX-based explosive shell;
step two: selecting a proper grid type and a proper grid size to grid the three-dimensional model of the HMX-based explosive according to the geometric characteristics of the HMX-based explosive; meanwhile, selecting a proper grid type and grid size according to the geometric characteristics of the HMX-based explosive shell to divide a grid into a three-dimensional model of the HMX-based explosive shell;
step three: determining a heat conduction equation of the HMX-based explosive and a heat conduction equation of the HMX-based explosive shell according to an energy conservation law and a Fourier heat conduction law and by combining a three-dimensional model of the HMX-based explosive and a three-dimensional model of the HMX-based explosive shell;
step four: according to the type of the HMX-based explosive and the thermal environment of the shell of the HMX-based explosive, setting the density, specific heat capacity function HMX _ capacity and thermal conductivity function HMX _ conductivity of the HMX-based explosive and the values of the density, specific heat capacity and thermal conductivity of the shell of the HMX-based explosive in the material properties of the HMX-based explosive and the shell of the HMX-based explosive; the HMX-based explosive comprises a self-heating source item function HMX _ source and a component mass fraction function HMX _ fraction; in the boundary condition of the HMX-based explosive shell, obtaining an external heating rate function HMX _ heat of the HMX-based explosive shell to obtain a heat conduction model of the HMX-based explosive and a heat conduction model of the HMX-based explosive shell;
step five: setting a monitoring point;
step six: setting iteration step length and iteration step number, solving a heat conduction model of the HMX-based explosive and a heat conduction model of an HMX-based explosive shell, and obtaining the temperature and the value of the mass fraction of each component at each moment;
step seven: and establishing a temperature-time history curve according to the temperature of each moment at the monitoring point to judge whether the HMX-based explosive generates thermal response.
Compared with the prior art, the invention has the remarkable advantages that: (1) the method can simulate the response condition of the HMX-based explosive under the action of a thermal environment by adopting commercial software, considers the influence of temperature on explosive property parameters and the influence of temperature on the mass fraction of each component generated by thermal decomposition of the explosive, and is favorable for carrying out detailed and deep analysis on the thermal reaction details of the explosive.
(2) According to the invention, a calculation model comprising explosive property parameters changing along with temperature and explosive multi-step thermal decomposition reaction is established, the response characteristics of the HMX-based explosive in a thermal environment, including ignition time, ignition temperature, mass fractions of components and the like of the explosive, are predicted, the thermal decomposition process of the HMX-based explosive is reflected in more detail and truly, and the accuracy of thermal response calculation of the HMX-based explosive is improved.
(3) The calculation result can provide reference for thermal safety evaluation and thermal protection design of the HMX-based explosive.
Drawings
FIG. 1 is a flow chart of a simulation method of predicting the thermal response of an HMX-based explosive in accordance with the present invention.
Fig. 2 is a grid diagram of the HMX-based explosive and its shell model of example 1.
FIG. 3 is a temperature-time plot at the monitoring point in example 1.
FIG. 4 is a graph of mass fraction of each component versus time at the monitoring point in example 1.
Fig. 5 is a cloud chart of the temperature distribution at the time of ignition in example 1.
Detailed Description
The present invention is described in further detail below with reference to the attached drawing figures.
Aiming at the thermal safety problem of the HMX-based explosive, according to the type of the HMX-based explosive and the thermal environment of the shell of the HMX-based explosive, the specific heat capacity, the heat conductivity coefficient, the self-heating source item, the mass fractions of all components and the external heating rate subfunction of the shell of the HMX-based explosive are compiled, and a heat conduction model of the HMX-based explosive and the shell of the HMX-based explosive is established by combining a grid model of the HMX-based explosive and the shell of the HMX-based explosive for predicting the thermal response characteristics of the HMX-based explosive in different thermal environments, such as ignition time, ignition position and the like. Accordingly, the invention provides a numerical simulation method for predicting the thermal response characteristic of an HMX-based explosive, which comprises explosive property parameters, self-heating source items, mass fractions of components and external heating rate, wherein the explosive property parameters, the self-heating source items, the mass fractions of the components and the external heating rate are changed along with the temperature.
Referring to fig. 1, a simulation method for predicting thermal response of an HMX-based explosive, the HMX-based explosive having a casing, comprises the following specific steps:
the method comprises the following steps: establishing a three-dimensional model of the HMX-based explosive and a three-dimensional model of an HMX-based explosive shell;
step two: selecting a proper grid type to grid the three-dimensional model of the HMX-based explosive according to the geometric characteristics of the HMX-based explosive; meanwhile, selecting a proper grid type according to the geometrical characteristics of the HMX-based explosive shell to grid the three-dimensional model of the HMX-based explosive shell;
step three: determining a heat conduction equation of the HMX-based explosive and a heat conduction equation of the HMX-based explosive shell according to an energy conservation law and a Fourier heat conduction law and by combining a three-dimensional model of the HMX-based explosive and a three-dimensional model of the HMX-based explosive shell;
step four: according to the type of the HMX-based explosive and the thermal environment of the shell of the HMX-based explosive, setting the density, specific heat capacity function HMX _ capacity and thermal conductivity function HMX _ conductivity of the HMX-based explosive and the values of the density, specific heat capacity and thermal conductivity of the shell of the HMX-based explosive in the material properties of the HMX-based explosive and the shell of the HMX-based explosive; the HMX-based explosive comprises a self-heating source item function HMX _ source and a component mass fraction function HMX _ fraction; in the boundary condition of the HMX-based explosive shell, an external heating rate function HMX _ heat is set to obtain a heat conduction model of the HMX-based explosive and a heat conduction model of the HMX-based explosive shell, which is specifically as follows:
external heating rate function of HMX-based explosive shell HMX heat:
T h ＝T 0 +ht (1)
in the formula, T h For external heating of temperature, T 0 The initial environment temperature, h is the heating rate, and t is the heating time;
the HMX based explosive is from the heat source term function HMX _ source:
reaction 1: solid beta-HMX → solid delta-HMX, r 1 ＝Z 1 exp(-E 1 /RT)m A (2)
Reaction 2: solid delta-HMX → solid intermediate, r 2 ＝Z 2 exp(-E 2 /RT)m B (3)
Reaction 3: solid intermediate → gaseous intermediate, r 3 ＝Z 3 exp(-E 3 /RT)m C (4)
Reaction 4: gaseous intermediate → gaseous end product, r 4 ＝Z 4 exp(-E 4 /RT)m D 2 (5)
According to formula (2), formula (3), formula (4) and formula (5), obtaining
Figure BDA0002647352230000041
In the formula, r i To the reaction rate, Z i Is a pre-exponential factor, E i For activation energy, R is the universal gas constant, T is the temperature, m A 、m B 、m C And m D Respectively the mass fractions of solid beta-HMX, solid delta-HMX, solid intermediate product and gas intermediate product, S is the term of self-heating source of HMX base explosive, rho is density, Q i I is the reaction number, i is 1,2,3, 4;
the mass fraction function HMX _ fraction of each component in the HMX-based explosive is as follows:
Figure BDA0002647352230000042
Figure BDA0002647352230000043
Figure BDA0002647352230000044
Figure BDA0002647352230000045
Figure BDA0002647352230000046
in the formula, m E Is the mass fraction of the final product gas;
thermal conductivity function of HMX-based explosive HMX _ conductivity:
k mix ＝∑m j k j (12)
k j ＝a kj +Tb kj (13)
in the formula: m is a unit of j The mass fraction of each component is j, j is each component, and j is A, B, C and D; k is a radical of j Is the thermal conductivity coefficient, alpha, of each component kj 、b kj Parameters for linear fitting;
specific heat capacity function of HMX-based explosive HMX _ capacity:
C mix ＝∑m j C j (14)
C j ＝a cj +Tb cj (15)
in the formula: m is j J is the mass fraction of each component, j is A, B, C, D; c j Specific heat capacity, alpha, of each component cj 、b cj Are parameters of a linear fit.
Step five: setting monitoring points, wherein the monitoring points comprise two types:
the first type is: selecting the temperature measuring position of the device as a monitoring point according to the arrangement of the temperature measuring device in the actual test for comparing with the test result;
the second type: and selecting the center of the explosive column, the center of the bottom surface of the explosive column and the like as monitoring points according to the geometrical shape characteristics of the HMX-based explosive for observing the temperature change condition inside the explosive.
Step six: setting iteration step length and iteration step number, respectively solving a heat conduction model of the HMX-based explosive and a heat conduction model of an HMX-based explosive shell, and obtaining the temperature and the value of the mass fraction of each component at each moment;
step seven: and establishing a temperature-time history curve according to the temperature of each moment at the monitoring point to judge whether the thermal response of the explosive occurs.
Example 1
Referring to fig. 1, a simulation method for predicting thermal response of an HMX-based explosive, the HMX-based explosive having a casing, comprises the following specific steps:
the method comprises the following steps: establishing a three-dimensional model of the HMX-based explosive and a three-dimensional model of an HMX-based explosive shell:
because the HMX-based explosive with the shell is of an axisymmetric structure, in order to reduce calculated amount, a quarter simplified model is established, a three-dimensional model of the HMX-based explosive and the shell thereof is established by utilizing Solidworks software, the size of the HMX-based explosive is phi 43.6 multiplied by 197.4mm, the thickness of the shell is 2.93mm, and a geometric file of HMX. x _ t is output;
step two: selecting a proper grid type and a proper grid size to grid the three-dimensional model of the HMX-based explosive according to the geometric characteristics of the HMX-based explosive; meanwhile, selecting a proper grid type and grid size according to the geometrical characteristics of the HMX-based explosive shell to divide the grid of the three-dimensional model of the HMX-based explosive shell:
importing the HMX.x _ t geometric file into Mesh software, selecting a hexahedral Mesh type to divide meshes according to the geometric characteristics of the HMX-based explosive and the shell thereof, wherein the Mesh size is 2mm, the number of the finally divided calculation meshes is 23279, and outputting the HMX.msh Mesh file as shown in FIG. 2; opening Fluent software, reading in an HMX.msh grid file, and checking whether the grid has a negative volume.
Step three: determining a heat conduction equation of the HMX-based explosive and a heat conduction equation of the HMX-based explosive shell according to an energy conservation law and a Fourier heat conduction law by combining a three-dimensional model of the HMX-based explosive and a three-dimensional model of the HMX-based explosive shell:
transient thermal analysis is selected in Fluent software, and an energy equation is selected.
Step four: according to the type of the HMX-based explosive and the thermal environment of the shell of the HMX-based explosive, setting the density, specific heat capacity function HMX _ capacity and thermal conductivity function HMX _ conductivity of the HMX-based explosive and the values of the density, specific heat capacity and thermal conductivity of the shell of the HMX-based explosive in the material properties of the HMX-based explosive and the shell of the HMX-based explosive; the HMX-based explosive comprises a self-heating source item function HMX _ source and a component mass fraction function HMX _ fraction; in the boundary condition of the HMX-based explosive shell, an external heating rate function HMX _ heat is set to obtain a heat conduction model of the HMX-based explosive and a heat conduction model of the HMX-based explosive shell, which are specifically as follows:
external heating rate function of HMX-based explosive shell HMX heat:
T h ＝T 0 +ht (1)
in the formula, T h For heating the temperature, T, from the outside 0 The initial environment temperature, h is the heating rate, and t is the heating time;
the HMX based explosive is from the heat source term function HMX _ source:
reaction 1: solid beta-HMX → solid delta-HMX, r 1 ＝Z 1 exp(-E 1 /RT)m A (2)
Reaction 2: solid delta-HMX → solid intermediate, r 2 ＝Z 2 exp(-E 2 /RT)m B (3)
Reaction 3: solid intermediate → gaseous intermediate, r 3 ＝Z 3 exp(-E 3 /RT)m C (4)
Reaction 4: gaseous intermediate → gaseous end product, r 4 ＝Z 4 exp(-E 4 /RT)m D 2 (5)
According to formula (2), formula (3), formula (4) and formula (5), obtaining
Figure BDA0002647352230000061
In the formula, r i To the reaction rate, Z i Is a pre-exponential factor, E i For activation energy, R is a universal gasNumber, T is temperature, m A 、m B 、m C And m D Respectively the mass fractions of solid beta-HMX, solid delta-HMX, solid intermediate product and gas intermediate product, S is the term of self-heating source of HMX base explosive, rho is density, Q i I is the reaction number, i is 1,2,3, 4;
the mass fraction function HMX _ fraction of each component in the HMX-based explosive is as follows:
Figure BDA0002647352230000062
Figure BDA0002647352230000071
Figure BDA0002647352230000072
Figure BDA0002647352230000073
Figure BDA0002647352230000074
in the formula, m E Is the mass fraction of the final product gas;
thermal conductivity function of HMX-based explosive HMX _ conductivity:
k mix ＝∑m j k j (12)
k j ＝a kj +Tb kj (13)
in the formula: m is j The mass fraction of each component is j, j is each component, and j is A, B, C and D; k is a radical of j Is the thermal conductivity coefficient, alpha, of each component kj 、b kj Parameters for linear fitting;
specific heat capacity function of HMX-based explosive HMX _ capacity:
C mix ＝∑m j C j (14)
C j ＝a cj +Tb cj (15)
in the formula: m is j J is the mass fraction of each component, j is each component, and j is A, B, C and D; c j Specific heat capacity of each component, alpha cj 、b cj Are parameters of a linear fit.
The method comprises the steps of writing an external heating rate function (HMX _ heat), an HMX-based explosive self-heating source item function (HMX _ source), a component mass fraction function (HMX _ fraction), a thermal conductivity function (HMX _ conductivity) and a specific heat capacity function (HMX _ capacity) in C language, and loading the functions into a Fluent program through a custom function (UDF).
Adding a density, specific heat capacity function HMX _ capacity and a thermal conductivity function HMX _ conductivity to the material properties of the HMX-based explosive, and adding values of the density, specific heat capacity and thermal conductivity to the material properties of the shell; adding a self-heating source term function HMX _ source and a component mass fraction function HMX _ fraction in a calculation domain of the HMX-based explosive; an external heating rate function HMX heat is added to the outer wall surface of the housing.
Step five: setting monitoring points, wherein the monitoring points comprise two types:
the first type is: selecting the temperature measuring position of the device as a monitoring point according to the arrangement of the temperature measuring device in the actual test for comparing with the test result;
the second type: according to the geometrical shape characteristics of the HMX-based explosive, the center of the explosive column, the center of the bottom surface of the explosive column and the like are selected as monitoring points for observing the temperature change condition inside the explosive.
And a monitoring point is arranged at the center of the HMX-based explosive and is used for observing the temperature and the change of the mass fraction of each component at the point along with time.
Step six: setting iteration step length and iteration step number, solving a heat conduction model of the HMX-based explosive and a heat conduction model of an HMX-based explosive shell, and obtaining the temperature and the value of the mass fraction of each component at each moment;
and (4) solving an energy equation by using a second-order windward format, and initializing a calculation domain. Setting the iteration step length to be 10s and the iteration step number to be 25500, setting the time interval of outputting the dat result data file to be 10s, and starting to carry out iterative computation.
Step seven: and establishing a temperature-time history curve according to the temperature at each moment of the monitoring point to judge whether the thermal response occurs to the explosive.
The temperature-time curve at the monitoring point is shown in fig. 3, with a sharp rise in temperature at time 251770s, indicating the thermal response of the HMX-based explosive. The simulation results in an HMX-based explosive with an onset response time of 251770s and a relative error of only 3.61% from the experimental value of 243000 s. The change of the mass fraction of each component at the monitoring point with time is shown in fig. 4, and when the thermal response occurs, only a small amount of gas final product is generated, which indicates that in the multi-step thermal decomposition reaction of the HMX-based explosive, a large amount of heat is released in the process of generating the gas final product in the reaction 4, namely the reaction 4 is a key reaction step for determining whether the thermal response occurs to the HMX-based explosive. Fig. 5 is a cloud of temperature profiles of the HMX-based explosive in response to heat, with the highest temperature at the center of the HMX-based explosive, i.e., the center of the explosive is the original region of thermal ignition.

Claims (3)

1. A simulation method for predicting thermal response of an HMX-based explosive is characterized in that the HMX-based explosive is provided with a shell, and the method comprises the following specific steps:
the method comprises the following steps: establishing a three-dimensional model of the HMX-based explosive and a three-dimensional model of an HMX-based explosive shell;
step two: selecting a grid type and a grid size to divide a three-dimensional model of the HMX-based explosive into grids according to the geometric characteristics of the HMX-based explosive; meanwhile, selecting a grid type and a grid size according to the geometric characteristics of the HMX-based explosive shell to divide a grid into a three-dimensional model of the HMX-based explosive shell;
step three: determining a heat conduction equation of the HMX-based explosive and a heat conduction equation of the HMX-based explosive shell according to an energy conservation law and a Fourier heat conduction law and by combining a three-dimensional model of the HMX-based explosive and a three-dimensional model of the HMX-based explosive shell;
step four: setting the density, specific heat capacity function HMX _ capacity and thermal conductivity function HMX _ conductivity of the HMX-based explosive and the values of the density, specific heat capacity and thermal conductivity of the HMX-based explosive shell according to the type of the HMX-based explosive and the thermal environment of the shell of the HMX-based explosive; the HMX-based explosive comprises a self-heating source item function HMX _ source and a component mass fraction function HMX _ fraction; obtaining an external heating rate function HMX _ heat of the HMX-based explosive shell so as to obtain a heat conduction model of the HMX-based explosive and a heat conduction model of the HMX-based explosive shell;
step five: setting a monitoring point;
step six: setting iteration step length and iteration step number, solving a heat conduction model of the HMX-based explosive and a heat conduction model of an HMX-based explosive shell, and obtaining the temperature and the value of the mass fraction of each component at each moment;
step seven: and establishing a temperature-time history curve according to the temperature of each moment at the monitoring point to judge whether the HMX-based explosive generates thermal response.
2. The simulation method for predicting the thermal response of an HMX-based explosive according to claim 1, wherein in step four, the following functions are determined according to the type of HMX-based explosive and the thermal environment in which the casing thereof is located:
external heating rate function of HMX-based explosive shell HMX heat:
T h ＝T 0 +ht (1)
in the formula, T h For heating the temperature, T, from the outside 0 The initial environment temperature, h is the heating rate, and t is the heating time;
the HMX based explosive is from the heat source term function HMX _ source:
reaction 1: solid beta-HMX → solid delta-HMX, r 1 ＝Z 1 exp(-E 1 /RT)m A (2)
Reaction 2: solid delta-HMX → solid intermediate, r 2 ＝Z 2 exp(-E 2 /RT)m B (3)
Reaction 3: solid intermediate → gaseous intermediate, r 3 ＝Z 3 exp(-E 3 /RT)m C (4)
Reaction of4: gaseous intermediate → gaseous end product, r 4 ＝Z 4 exp(-E 4 /RT)m D 2 (5)
According to formula (2), formula (3), formula (4) and formula (5), obtaining
Figure FDA0002647352220000021
In the formula, r i To the reaction rate, Z i Is a pre-exponential factor, E i For activation energy, R is the universal gas constant, T is the temperature, m A 、m B 、m C And m D Respectively the mass fractions of solid beta-HMX, solid delta-HMX, solid intermediate product and gas intermediate product, S is the term of self-heating source of HMX base explosive, rho is density, Q i I is the reaction number, i is 1,2,3, 4;
the mass fraction function HMX _ fraction of each component in the HMX-based explosive is as follows:
Figure FDA0002647352220000022
Figure FDA0002647352220000023
Figure FDA0002647352220000024
Figure FDA0002647352220000025
Figure FDA0002647352220000026
in the formula, m E To gas endMass fraction of the product;
thermal conductivity function of HMX-based explosive HMX _ conductivity:
k mix ＝∑m j k j (12)
k j ＝a kj +Tb kj (13)
in the formula: m is j The mass fraction of each component is j, j is each component, and j is A, B, C and D; k is a radical of j Is the thermal conductivity coefficient, alpha, of each component kj 、b kj Parameters for linear fitting;
specific heat capacity function of HMX-based explosive HMX _ capacity:
C mix ＝∑m j C j (14)
C j ＝a cj +Tb cj (15)
in the formula: m is j J is the mass fraction of each component, j is A, B, C, D; c j Specific heat capacity, alpha, of each component cj 、b cj Are parameters of a linear fit.
3. The simulation method for predicting the thermal response of an HMX-based explosive according to claim 1, wherein in step five, the monitoring points comprise two types:
the first type is: selecting the temperature measuring position of the device as a monitoring point according to the arrangement of the temperature measuring device in the actual test for comparing with the test result;
the second type: and selecting the center of the explosive column and the center of the bottom surface of the explosive column as monitoring points according to the geometrical shape characteristics of the HMX-based explosive for observing the temperature change condition inside the explosive.
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