CN113593650B - Mixed explosive detonation parameter calculation method - Google Patents
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Abstract
The application provides a method for calculating detonation parameters of a mixed explosive, which specifically comprises the following steps: step 100, editing a data input file: step 110, editing general calculation model parameters; step 120, inputting BKW state equation parameters; step 130, inputting environment initial state parameters; step 140, editing the composition parameters of the mixed explosive: step 200, detonation parameter calculation: step 210, calculating free energy of detonation product gas phase components; step 220, calculating free energy of condensed phase components of detonation products; step 230, calculating the component content of detonation products; step 240, calculating the state of the detonation product CJ; step 250, calculating a detonation product Hugonlot relation; step 260, calculating the adiabatic isentropic expansion process of the detonation product; step 300, visualization of the calculation results. The calculation method can effectively reduce the number of detonation parameter test tests, and is beneficial to saving cost, shortening time and improving efficiency.
Description
Technical Field
The application belongs to the field of mixed explosives, relates to mixed explosive detonation performance parameter calculation, and in particular relates to a mixed explosive detonation parameter calculation method.
Background
Detonation parameters are important index parameters which need to be considered seriously when the formula of the mixed explosive is designed. The detonation parameters of the mixed explosive including the detonation velocity and the detonation pressure can be obtained by a method of experimental test. However, performing a detonation experiment of a mixed explosive generally has a higher safety risk, and consumes a small amount of experimental expenditure, so that the obtained experimental test result data is limited. When the detonation performance of the mixed explosive is designed, either the experimental sample is unknown, or the component content needs to be adjusted repeatedly, the technical method for acquiring the detonation parameters through experimental means at the moment shows extremely high operation difficulty.
From a thermodynamic perspective, the detonation process of a hybrid explosive involves the realization and description of chemical equilibrium issues. Thus, the detonation parameter calculation for a blended explosive may be transformed from a thermodynamic perspective. At the same time, developments in detonation physics have also provided a basic model describing the detonation process of a hybrid explosive, such as the classical Chapman-Jouget (hereinafter abbreviated as CJ) detonation theory model. The method for calculating the detonation parameters of the mixed explosive can be repeated for a plurality of times, so that the dependence on experimental technology is reduced.
The Chinese patent No. ZL201210004181.6 discloses a method for determining detonation parameters of liquid explosive. The application calculates CJ detonation pressure, detonation velocity, detonation temperature and specific volume of the liquid explosive by utilizing the thermodynamic function of the compound and utilizing the principle of minimum free energy. However, the detonation products generated after the detonation reaction of the liquid explosive are regarded as ideal gases, and the detonation products have great difference from the actual conditions. In addition, the method is only applicable to simple substance liquid explosive, and is basically ineffective for the detonation parameter calculation of most of mixed explosive in a solid phase state.
Therefore, the application needs to invent a method for calculating the detonation parameters of the mixed explosive, which calculates the detonation performance parameters of the mixed explosive based on the thermodynamic principle.
Disclosure of Invention
Aiming at the defects existing in the prior art, the application aims to provide a method for calculating detonation parameters of a mixed explosive, which solves the technical problem of low efficiency caused by a large number of detonation parameter test tests in the prior art.
In order to solve the technical problems, the application adopts the following technical scheme:
a method for calculating detonation parameters of a mixed explosive, which uses a BKW state equation and a Cowan state equation to carry out numerical calculation on detonation performance parameters of the mixed explosive, comprises the following calculation steps:
step 100, editing a data input file:
constructing a data input file according to page hints by running an auxiliary program or according to calculation requirements by using a text editing tool, comprising the following steps:
step 110, general calculation model parameter editing:
selecting and activating calculation parameter options for CJ state calculation, hugoniot relation calculation and adiabatic isentropic expansion calculation;
step 120, inputting BKW state equation parameters:
the BKW state equation expression is shown as a formula 1:
the expression of x is shown in formula 2:
in formula 1 and formula 2:
p is the pressure of the detonation product of the mixed explosive;
t is the temperature of the detonation product of the mixed explosive;
V g the volume of the gas phase component of the detonation product of the mixed explosive;
r is a universal gas constant;
x i the mole fraction of the gas phase component of the ith detonation product;
k i the geometrical residual capacity of the gas phase component of the ith detonation product;
alpha, beta, theta and kappa are BKW state equation parameters;
step 130, inputting environment initial state parameters:
the environment initial state parameter includes an initial temperature T 0 And an initial pressure p 0 ；
Step 140, editing the composition parameters of the mixed explosive:
inputting the initial density of the mixed explosive, inputting the chemical element composition of the mixed explosive, inputting the detonation product component content of the mixed explosive, calculating the mole content of each chemical element according to the chemical element composition and mass proportion fraction of the detonation product component content, and inputting the thermodynamic equation of state parameter of the detonation product component;
step 200, detonation parameter calculation:
the detonation parameter calculation comprises the following steps:
step 210, calculation of free energy of detonation product gas phase composition:
the calculated expression of the free energy of the gas phase component of the detonation product is shown in the formula 3:
in formula 3:
μ g chemical potential of the gas phase component being the detonation product;
g is the Gibbs free energy of the detonation product component;
ΔH 0 f enthalpy of formation for detonation product components;
subscript i represents the ith vapor phase component;
step 220, calculating free energy of condensed phase components of detonation products:
the free energy of the condensed phase component of the detonation product is calculated as shown in the formulas 4 and 5:
p＝p 1 (V s )+a(V s )T+b(V s )T 2 formula 4;
in formula 4 and formula 5:
p 1 a and b are parameters of a Cowan state equation;
V s the volume of condensed phase components being detonation products;
μ s chemical potential of condensed phase component for detonation product;
subscript s represents a condensed phase component;
the superscript 0 indicates an initial state;
step 230, calculating the component content of detonation products:
according to the principle of chemical equilibrium free energy minimum, the principle of conservation of atomic number of chemical elements and the principle of conservation of mass of detonation products, the calculation expression is shown in formula 6:
in formula 6:
x T for the total content of detonation product components at the current calculation step,
y i the mole fraction of the ith gas-phase detonation product at the next calculation step;
y T for the next calculation step the total content of detonation product components,
λ k lagrangian multiplier for the kth chemical element;
α ik the atomic number of the kth element in the ith detonation product is represented by a coefficient matrix;
b k the atomic number content of the kth element in the mixed explosive;
step 240, calculation of detonation product CJ state:
the calculation expressions are shown in the formulas 7 and 8:
in formulas 7 and 8:
D CJ the detonation velocity under the CJ state;
p CJ is the pressure in CJ state;
V CJ is the volume in CJ state;
the partial derivative symbol subscript S represents an isentropic state;
V 0 is the initial volume;
step 250, calculating a detonation product Hugonlot relation:
the calculation expression is shown in formula 9:
in formula 9:
e is the total energy of detonation products;
e 0 is the initial energy;
step 260, calculating the adiabatic isentropic expansion process of the detonation product:
the calculation expression is shown in formula 10:
S Total -S CJ =0 formula 10;
in formula 10:
S Total is the total entropy in the expansion process;
S CJ entropy in CJ state;
step 300, visualization of the calculation result:
graphical display of the state of the detonation product CJ of the mixed explosive, hugoniot relationship and adiabatic isentropic expansion.
The application also has the following technical characteristics:
in step 140, thermodynamic equation of state parameters of the detonation product composition are expressed as a polynomial fit function with temperature as an argument.
In step 240, the calculation of the state of the detonation product CJ includes the calculation of the detonation velocity and the detonation pressure of the mixed explosive in the CJ state.
Compared with the prior art, the application has the following technical effects:
the calculation method related by the application can carry out targeted and repeated calculation on the detonation parameters of the mixed explosive with different chemical element compositions and different formula composition contents, can effectively reduce the number of detonation parameter test tests, and is beneficial to saving the cost, shortening the time and improving the efficiency.
The calculation method has good calculation precision for the detonation parameters, and can meet the actual engineering requirements.
And (III) the calculation steps and the calculation model related by the application can be designed into standard calculation programs, so that the working intensity can be effectively reduced, and the method is convenient for users to use and expand and popularize.
Drawings
FIG. 1 is a flow chart of a method for calculating detonation parameters of a mixed explosive.
FIG. 2 is a graphical representation of the detonation product CJ of the blended explosive EX1 of example 1.
FIG. 3 is a graphical representation of the detonation product Hugoniot of the blended explosive EX1 of example 1.
FIG. 4 is a graphical representation of the adiabatic isentropic expansion of the detonation product of the blended explosive EX1 of example 1.
FIG. 5 is a graphical representation of the detonation product CJ of the blended explosive EX2 in example 2.
FIG. 6 is a graphical representation of the detonation product Hugoniot relationship of the blended explosive EX2 of example 2.
FIG. 7 is a graphical representation of the adiabatic isentropic expansion of the detonation product of the blended explosive EX2 in example 2.
FIG. 8 is a graphical representation of the condition of the detonation product CJ of the composite explosive EX3 in example 3.
FIG. 9 is a graphical representation of the detonation product Hugoniot of the blended explosive EX3 of example 3.
FIG. 10 is a graphical representation of the adiabatic isentropic expansion of the detonation product of the blended explosive EX3 in example 3.
The following examples illustrate the application in further detail.
Detailed Description
In the present application, the following is described.
All physical quantity units are common in the field.
CJ refers to the CJ theory of detonation waves, namely the planar one-dimensional hydrodynamic theory on detonation waves that Chapman and Jouget set forth at the beginning of the 20 th century, respectively.
Aiming at the defects existing in the prior art, the application discloses a method for calculating detonation parameters of a mixed explosive, which is based on a multiphase multicomponent thermodynamic basic principle, combines the formulation composition of the mixed explosive and an overall chemical reaction equation, takes the classical CJ detonation theory of an ideal explosive as the premise, and combines a common programming language and a numerical calculation method to calculate and analyze detonation performance parameters of the mixed explosive including detonation velocity and detonation pressure.
According to the method for calculating the detonation parameters of the mixed explosive, from the specific implementation process, the calculation method is summarized into three main modules for reading and writing calculation data, calculating the detonation parameters and processing calculation results, and each main module comprises a plurality of different sub-modules according to different specific functions.
Wherein, the data read-write module is calculated, includes: the system comprises a general model parameter setting sub-module, a Becker-Kistink wsky-Wilson (hereinafter abbreviated as BKW) state equation parameter reading sub-module, a surrounding environment initial physical state reading sub-module, a mixed explosive component content and thermodynamic state equation parameter reading sub-module and a calculation result data storage sub-module, wherein the sub-modules are combined together, and the functions for realizing comprise: the method comprises the steps of inputting, outputting, reading and storing general calculation model parameters, mixed explosive element composition and molar content parameters, detonation product state equation parameters, surrounding thermodynamic initial state parameters and detonation product component content calculation result parameters during mixed explosive detonation parameter calculation.
The detonation parameter calculation module comprises: detonation product pressure-temperature-volume and free energy calculation sub-module, detonation product component content calculation sub-module, CJ state calculation sub-module, hugonlot relation calculation sub-module, adiabatic isentropic expansion calculation sub-module and numerical iteration calculation sub-module. The functions for implementation include: the method comprises the steps of calculating thermodynamic state and component content change of detonation products when the detonation parameters of the mixed explosive are calculated, calculating detonation velocity and detonation pressure of the mixed explosive in a CJ state, and calculating impact state and isentropic expansion state of the detonation products.
The calculation result processing module comprises: and the computing result data extraction sub-module and the graphical display sub-module. The functions for implementation include: extracting, utilizing, analyzing and processing and graphically displaying the detonation parameter calculation result data of the mixed explosive.
According to the method for calculating the detonation parameters of the mixed explosive, from the aspect of a specific calculation flow, the calculation method is divided into three main flows of pretreatment, numerical calculation and post-treatment, and each main flow comprises a plurality of different calculation steps according to different specific operation modes.
The preprocessing flow is used for realizing the core functions including: editing and constructing data input files during the calculation of detonation parameters of the mixed explosive.
The pretreatment flow, as shown in fig. 1, comprises the following steps:
step 100, editing a data input file:
constructing a data input file according to page hints by running an auxiliary program or according to calculation requirements by using a text editing tool, comprising the following steps:
step 110, general calculation model parameter editing: and selecting and activating calculation parameter options for CJ state calculation, hugoniot relation calculation and adiabatic isentropic expansion calculation.
Step 120, inputting BKW state equation parameters, where the BKW state equation is expressed as formula 1:
in the formula 1, p is the pressure of detonation products of the mixed explosive, and T is the detonation products of the mixed explosiveTemperature of the object, V g For the volume of gas phase components in the detonation product of the mixed explosive, R is a universal gas constant, and the expression of x is shown in the formula 2:
in formula 2, T and V g Is as defined in formula 1, x i Is the mole fraction, k, of the ith gas phase detonation product i For the geometrical residual of the ith gas-phase detonation product, the summation is only carried out in the gas-phase detonation product. In the formulas 1 and 2, α, β, θ and κ are BKW state equation parameters.
And generating a detonation product system with a complex composition structure after the detonation reaction of the mixed explosive. The detonation product system has a uniform pressure p and temperature T throughout. From a phase perspective, the detonation products may be broadly divided into a gas phase component and a condensed phase component. Wherein the physical state change of the detonation product gas phase component is described by adopting a BKW state equation. BKW state equations are based on the application of intermolecular repulsive potential to the virtual (wiry) equation. When numerical calculation is carried out, BKW state equation parameters need to be known. The classical BKW state equation contains two sets of parameters, one set of mixed explosives suitable for TNT types with higher carbon atoms, called TNT parameters; another group of mixed explosives of the RDX type, which have a lower carbon content, is referred to as the RDX parameter. In recent years, in order to obtain a more accurate detonation parameter calculation result, a detonation product Hugonlot impact test result and a detonation parameter test result are taken as standard pairs, and the geometric residual capacity value of the gas phase component of the detonation product is referred to correct and newly calibrate BKW state equation parameters.
At step 130, environmental initial state parameters including initial temperature, initial pressure are entered.
Step 140, editing the composition parameters of the mixed explosive: inputting the initial density of the mixed explosive, inputting the chemical element composition of the mixed explosive, inputting the detonation product composition of the mixed explosive, calculating the mole content of each chemical element according to the chemical element composition and mass proportion fraction of the detonation product composition, and inputting the thermodynamic equation of state parameter of the detonation product composition.
Further, the thermodynamic equation of state parameters of the detonation product constituent components are expressed as polynomial fit functions with temperature as an independent variable. When fitting is performed, a thermochemical data table, such as a JANAF table, is consulted, thermodynamic entropy of the detonation product constituent components is taken as a reference, and polynomial data fitting is performed according to the change relation of thermodynamic entropy along with temperature. Considering both the accuracy of the calculation and the complexity of the fitting, a fourth order polynomial fit with a constant can be generally selected. And then deriving by using a thermodynamic basic relation on the basis of thermodynamic entropy, thereby obtaining polynomial fitting function relation of other thermodynamic quantities including thermodynamic enthalpy and Gibbs free energy.
Further, thermodynamic equation of state parameters of the detonation product constituent components also include the formation enthalpy of the components and the geometric residual capacity of the gas phase components.
The numerical calculation flow is used for realizing the core functions including: calculating the component content of the detonation product, calculating the detonation state of the mixed explosive CJ, calculating the Hugonot relation of the detonation product, and calculating the adiabatic isentropic expansion process of the detonation product. The numerical calculation flow comprises the following steps:
step 200, calculating detonation parameters, namely performing thermodynamic calculation on detonation performance parameters of the mixed explosive based on a multiphase multicomponent chemical equilibrium thermodynamic basic principle and a CJ detonation theory, wherein the method comprises the following steps of:
step 210, calculating free energy of the detonation product gas phase component, and based on a BKW state equation, deriving a calculation expression shown in formula 3:
in formula 3, mu g G is the Gibbs free energy of the detonation product component, ΔH 0 f Enthalpy of formation, p, of detonation product components 0 For initial state pressure, subscript i denotes the ith gas phase component, x i 、p、f(x)、β、k i And k has the same meaning as that of formulae 1 and 2.
Step 220, calculating free energy of condensed phase component of detonation product, wherein the change of physical state of condensed phase component of detonation product is described by using Cowan state equation, as shown in formula 4:
p＝p 1 (V s )+a(V s )T+b(V s )T 2 formula 4;
based on the Cowan state equation, the derived calculation expression is shown in the formula 5:
in formula 4 and formula 5, p 1 A and b are parameters of Cowan equation of state, V s Mu, the volume of condensed phase component of detonation product s Chemical potential of condensed phase component of detonation product, G and delta H 0 f The meaning of (1) is as in formula 3, p and T, the subscript s represents the condensed phase component, and the superscript 0 represents the initial state.
Step 230, calculating the component content of the detonation product, wherein the calculation expression is shown in the formula 6 according to the principle of chemical equilibrium free energy minimum, the principle of conservation of atomic numbers of chemical elements and the principle of conservation of mass of the detonation product:
in formula 6, x i Is as defined in formula 1, x T For the total content of detonation product components at the current calculation step,y i for the mole fraction of the ith gas phase detonation product at the next calculation step, y T For the next calculation step the total content of detonation product components, +.>The summation symbol superscript N represents summation of N gas-phase detonation products, lambda k Lagrangian multiplier sign, alpha, for the kth chemical element ik Is a coefficient matrix, which represents the atomic number content of the kth element in the ith detonation product, the summation symbol superscript M represents summation of M chemical elements, NT is detonation products of all kinds, b k Is the atomic number content of the k element in the mixed explosive.
The free energy of each of the detonation product gas phase component and the condensed phase component of the current calculation step is obtained through the steps 210 and 220 respectively. According to the mixing rule, the contents of the gas phase component and the condensed phase component are used as corresponding weight values, and the free energy of each part is subjected to linear weighting, so that the total free energy of the mixed system in the current calculation step can be obtained. According to formula 6, the detonation product component content of the current calculation step is taken as an initial value, and a numerical iteration method is used for calculation, so that the detonation product component content of the next calculation step is obtained.
Step 240, calculating the detonation velocity and detonation pressure of the detonation product in the CJ state, wherein the calculation expressions are shown in the formulas 7 and 8:
in formula 7 and formula 8, D CJ Is the detonation velocity, p, in CJ state CJ Is the pressure in CJ state, V CJ For the volume in CJ state, the partial derivative symbol subscript S represents the isentropic state, V 0 For an initial volume, p 0 For initial pressure, V g Is as defined in formula 1.
Further, the calculation of the CJ state of the detonation product comprises the calculation of the detonation velocity and the detonation pressure of the mixed explosive in the CJ state.
Step 250, calculating a detonation product Hugonlot relation, and combining the energy conservation relation of the mixed explosive detonation product flow field to obtain a calculation expression shown in a formula 9:
in formula 9, e is the total energy of the detonation products, e 0 For initial energy, p, V g The meaning is as same as 1, p 0 、 V 0 The meaning is as in formula 8.
Step 260, calculating the adiabatic isentropic expansion process of the detonation product, wherein the calculation expression is shown in the formula 10:
S Total -S CJ =0 formula 10;
in 10, S Total S is the entropy in the expansion process CJ Is entropy in the CJ state. S is S Total The calculated expression of (2) is shown in formula 11:
in formula 11, x ig Is the content of the gas phase component of detonation product, S g Thermodynamic entropy, x, of the detonation product gas phase composition is S is the content of condensed phase component of detonation product s Thermodynamic entropy of condensed phase components of detonation products.
The adiabatic isentropic expansion process takes a CJ state as a starting point, and the detonation product is expanded to the surrounding environment with the thermodynamic entropy value in the CJ state unchanged.
The post-processing flow is used for realizing the core functions including: and (5) visual processing of the calculation result of the detonation parameters of the mixed explosive. The post-treatment flow comprises the following steps:
step 300, visualization of the calculation results, including graphical display of the CJ state, hugoniot relation and adiabatic isentropic expansion of the detonation products of the mixed explosive.
The application solves the technical problem of a method for calculating detonation parameters of a mixed explosive. The application is based on the chemical reaction equilibrium state free energy minimum principle and CJ ideal detonation theory, and combines the mixed explosive formula composition and a chemical reaction equation, and describes the object state change rule of the detonation product gas phase component and the condensed phase component respectively by using a BKW state equation and a Cowan state equation, and from the thermodynamic point of view, a numerical iteration method is applied to calculate the detonation parameters of the mixed explosive including detonation velocity and detonation pressure. The technical scheme disclosed by the application comprises a series of generalized calculation modules and sequential calculation processes, and is suitable for a standardized calculation program developed and formed by adopting a common programming language so as to be used for the detonation performance design and estimation of various mixed explosive formulas with different types and different contents.
According to the method for calculating the detonation parameters of the mixed explosive, a BKW state equation and a Cowan state equation are used for describing the change rule of the physical states of the gas phase component and the condensed phase component of the detonation product, and based on the principle of free energy minimization during chemical balance, numerical calculation is carried out on the detonation parameters of the mixed explosive including detonation velocity and detonation pressure, and the steps of editing data input files, calculating the detonation parameters and visualizing calculation results are included. The application can repeatedly calculate detonation parameters of the mixed explosive with different element compositions and different component contents, the calculation precision meets the actual requirement, and the application is convenient for users to use.
The following specific embodiments of the present application are provided, and it should be noted that the present application is not limited to the following specific embodiments, and all equivalent changes made on the basis of the technical scheme of the present application fall within the protection scope of the present application.
Example 1:
according to the technical scheme, the detonation parameter calculation method of the mixed explosive EX1 is used for calculating the detonation parameter of the mixed explosive EX 1.
The mixed explosive EX1 comprises the following components in parts by mass: black-cord (RDX): polyisobutylene (PIB): dioctyl sebacate (DOP): oil (Oil) =91: 5.3:2.1:1.6.
step 100, editing a data input file: a text editing tool is used to construct a data entry file according to the computational requirements.
Step 110, general calculation model parameter editing: options for performing CJ state computation, hugoniot relation computation, and adiabatic isentropic expansion computation are selected and activated.
Step 120 sets BKW state equation parameters, where α=0.5, β=0.16, θ=400, and κ=10.91.
And 130, inputting environment initial state parameters, wherein the initial temperature is 300K, and the initial pressure is 0.1MPa.
Step 140, editing the composition parameters of the mixed explosive: the initial density of the mixed explosive is 1.68g/cm 3 After being converted proportionally, the chemical formula of the mixed explosive EX1 is expressed as C 1.6234 H 3.2468 N 2.5659 O 2.5800 Enthalpy of formation is 1.4054 ×10 5 cal/g. The detonation product component of the mixed explosive comprises a gas phase component H 2 O、CO 2 、N 2 、H 2 、 O 2 、CO、NH 3 H, OH and CH 4 And solid-phase carbon (Sol C) of condensed phase components, extracting and inputting thermodynamic equation of state parameters of detonation product constituent components from the detonation product database respectively.
And 200, calculating detonation parameters.
At step 210, the free energy of the detonation product gas phase composition is calculated according to equation 3.
Step 220, calculating free energy of condensed phase component of detonation product according to formula 4 and formula 5.
In step 230, a numerical iterative algorithm is applied to calculate detonation product component content according to equation 6.
Step 240, calculating the detonation product CJ state, calculating the detonation velocity under the mixed explosive CJ state according to formula 7, D CJ =8266 m/s; calculating the detonation pressure, p, of the mixed explosive CJ according to the method of 8 CJ ＝29.2GPa。
Step 250, calculating Hugonlot relation of detonation products according to formula 9.
Step 260, calculating the adiabatic isentropic expansion process of the detonation product according to equation 10.
Step 300, the calculation result is visualized, the detonation product CJ state graph is shown in fig. 2, the Hugonlot relation graph is shown in fig. 3, and the adiabatic isentropic expansion graph is shown in fig. 4.
According to the embodiment, the detonation parameters of the mixed explosive formed by C, H, N, O chemical elements can be calculated, the calculation accuracy meets engineering requirements, and the method is beneficial to saving cost, shortening time and improving efficiency.
Example 2:
according to the technical scheme, the detonation parameter of the mixed explosive EX2 is calculated by using the mixed explosive detonation parameter calculation method.
The mixed explosive EX2 comprises the following components in parts by mass: black-cord (RDX): trientine ladder (TNT): aluminum powder (Al): wax (Wax) =40: 38:17:5.
step 100, editing a data input file: a text editing tool is used to construct a data entry file according to the computational requirements.
Step 110, general calculation model parameter editing: options for performing CJ state computation, hugoniot relation computation, and adiabatic isentropic expansion computation are selected and activated.
Step 120 sets BKW state equation parameters, where α=0.5, β=0.16, θ=400, and κ=10.91.
And 130, inputting environment initial state parameters, wherein the initial temperature is 300K, and the initial pressure is 0.1MPa.
Step 140, editing the composition parameters of the mixed explosive: the initial density of the mixed explosive is 1.72g/cm 3 After being converted proportionally, the chemical formula of the mixed explosive EX2 is expressed as C 2.0678 H 2.6299 N 1.5863 O 2.0843 Al 0.6303 Enthalpy of formation is 4.926 ×10 3 cal/g. The detonation product component of the mixed explosive comprises a gas phase component H 2 O、CO 2 、N 2 、 H 2 、O 2 、CO、NH 3 H, OH and CH 4 Condensed phase component Al 2 O 3 Solid phase aluminum (Al (s)) and solid phase carbon (Sol C), respectively, are extracted from the detonation product database and input thermodynamic equation of state parameters of the detonation product constituent components.
And 200, calculating detonation parameters.
At step 210, the free energy of the detonation product gas phase composition is calculated according to equation 3.
Step 220, calculating free energy of condensed phase component of detonation product according to formula 4 and formula 5.
In step 230, a numerical iterative algorithm is applied to calculate detonation product component content according to equation 6.
Step 240, calculating the detonation product CJ state, calculating the detonation velocity under the mixed explosive CJ state according to formula 7, D CJ =7353 m/s; calculating the detonation pressure, p, of the mixed explosive CJ according to the method of 8 CJ ＝23.4GPa。
Step 250, calculating Hugonlot relation of detonation products according to formula 9.
Step 260, calculating the adiabatic isentropic expansion process of the detonation product according to equation 10.
Step 300, the calculation result is visualized, the detonation product CJ state graph is shown in fig. 5, the Hugonlot relation graph is shown in fig. 6, and the adiabatic isentropic expansion graph is shown in fig. 7.
According to the embodiment, the detonation parameters of the mixed explosive formed by C, H, N, O, al chemical elements can be calculated, the calculation accuracy meets engineering requirements, and the method is beneficial to saving cost, shortening time and improving efficiency.
Example 3:
according to the technical scheme, the detonation parameter calculation method of the mixed explosive EX3 is used for calculating the detonation parameter of the mixed explosive.
The mixed explosive EX3 comprises the following components in parts by mass: octogen (HMX): fluororubber (F-Rubber) =95: 5.
step 100, editing a data input file: a text editing tool is used to construct a data entry file according to the computational requirements.
Step 110, general calculation model parameter editing: options for performing CJ state computation, hugoniot relation computation, and adiabatic isentropic expansion computation are selected and activated.
Step 120 sets BKW state equation parameters, where α=0.5, β=0.16, θ=400, and κ=10.91.
And 130, inputting environment initial state parameters, wherein the initial temperature is 300K, and the initial pressure is 0.1MPa.
Step 140, editing the composition parameters of the mixed explosive: the initial density of the mixed explosive is 1.83g/cm 3 After being converted proportionally, the chemical formula of the mixed explosive EX3 is expressed as C 1.5108 H 2.9213 N 2.5659 O 2.5659 F 0.1003 Enthalpy of formation is 9.221 ×10 3 cal/g. The detonation product component of the mixed explosive comprises a gas phase component H 2 O、CO 2 、N 2 、 H 2 、O 2 、CO、NH 3 、H、OH、CH 4 、HF、CF 4 、F 2 、COF 2 And solid-phase carbon (Sol C) of condensed phase components, extracting and inputting thermodynamic equation of state parameters of detonation product constituent components from the detonation product database respectively.
And 200, calculating detonation parameters.
At step 210, the free energy of the detonation product gas phase composition is calculated according to equation 3.
Step 220, calculating free energy of condensed phase component of detonation product according to formula 4 and formula 5.
In step 230, a numerical iterative algorithm is applied to calculate detonation product component content according to equation 6.
Step 240, calculating the detonation product CJ state, calculating the detonation velocity under the mixed explosive CJ state according to formula 7, D CJ =8805 m/s; calculating the detonation pressure, p, of the mixed explosive CJ according to the method of 8 CJ ＝35.5GPa。
Step 250, calculating Hugonlot relation of detonation products according to formula 9.
Step 260, calculating the adiabatic isentropic expansion process of the detonation product according to equation 10.
Step 300, the calculation result is visualized, the detonation product CJ state graph is shown in fig. 8, the Hugonlot relation graph is shown in fig. 9, and the adiabatic isentropic expansion graph is shown in fig. 10.
According to the embodiment, the detonation parameters of the mixed explosive formed by C, H, N, O, F chemical elements can be calculated, the calculation accuracy meets engineering requirements, and the method is beneficial to saving cost, shortening time and improving efficiency.
Although the application has been described herein with reference to a number of illustrative embodiments thereof, it should be understood that numerous other modifications and embodiments can be devised by those skilled in the art that will fall within the scope and spirit of the principles of this disclosure.
Claims (3)
1. The method for calculating the detonation parameters of the mixed explosive is characterized by comprising the following calculation steps of:
step 100, editing a data input file:
constructing a data input file according to page hints by running an auxiliary program or according to calculation requirements by using a text editing tool, comprising the following steps:
step 110, general calculation model parameter editing:
selecting and activating calculation parameter options for CJ state calculation, hugoniot relation calculation and adiabatic isentropic expansion calculation;
step 120, inputting BKW state equation parameters:
the BKW state equation expression is shown as a formula 1:
the expression of x is shown in formula 2:
in formula 1 and formula 2:
p is the pressure of the detonation product of the mixed explosive;
t is the temperature of the detonation product of the mixed explosive;
V g the volume of the gas phase component of the detonation product of the mixed explosive;
r is a universal gas constant;
x i the mole fraction of the gas phase component of the ith detonation product;
k i the geometrical residual capacity of the gas phase component of the ith detonation product;
alpha, beta, theta and kappa are BKW state equation parameters;
step 130, inputting environment initial state parameters:
the environment initial state parameter includes an initial temperature T 0 And an initial pressure p 0 ；
Step 140, editing the composition parameters of the mixed explosive:
inputting the initial density of the mixed explosive, inputting the chemical element composition of the mixed explosive, inputting the detonation product component content of the mixed explosive, calculating the mole content of each chemical element according to the chemical element composition and mass proportion fraction of the detonation product component content, and inputting the thermodynamic equation of state parameter of the detonation product component;
step 200, detonation parameter calculation:
the detonation parameter calculation comprises the following steps:
step 210, calculation of free energy of detonation product gas phase composition:
the calculated expression of the free energy of the gas phase component of the detonation product is shown in the formula 3:
in formula 3:
μ g chemical potential of the gas phase component being the detonation product;
g is the Gibbs free energy of the detonation product component;
ΔH 0 f enthalpy of formation for detonation product components;
subscript i represents the ith vapor phase component;
step 220, calculating free energy of condensed phase components of detonation products:
the free energy of the condensed phase component of the detonation product is calculated as shown in the formulas 4 and 5:
p＝p 1 (V s )+a(V s )T+b(V s )T 2 formula 4;
in formula 4 and formula 5:
p 1 a and b are parameters of a Cowan state equation;
V s the volume of condensed phase components being detonation products;
μ s chemical potential of condensed phase component for detonation product;
subscript s represents a condensed phase component;
the superscript 0 indicates an initial state;
step 230, calculating the component content of detonation products:
according to the principle of chemical equilibrium free energy minimum, the principle of conservation of atomic number of chemical elements and the principle of conservation of mass of detonation products, the calculation expression is shown in formula 6:
in formula 6:
x T for the total content of detonation product components at the current calculation step,
y i the mole fraction of the ith gas-phase detonation product at the next calculation step;
y T for the next calculation step the total content of detonation product components,
λ k lagrangian multiplier for the kth chemical element;
α ik is a coefficient matrix, representingThe atomic number of the kth element in the ith detonation product;
b k the atomic number content of the kth element in the mixed explosive;
step 240, calculation of detonation product CJ state:
the calculation expressions are shown in the formulas 7 and 8:
in formulas 7 and 8:
D CJ the detonation velocity under the CJ state;
p CJ is the pressure in CJ state;
V CJ is the volume in CJ state;
the partial derivative symbol subscript S represents an isentropic state;
V 0 is the initial volume;
step 250, calculating a detonation product Hugonlot relation:
the calculation expression is shown in formula 9:
in formula 9:
e is the total energy of detonation products;
e 0 is the initial energy;
step 260, calculating the adiabatic isentropic expansion process of the detonation product:
the calculation expression is shown in formula 10:
S Total -S CJ =0 formula 10;
in formula 10:
S Total is the total entropy in the expansion process;
S CJ entropy in CJ state;
step 300, visualization of the calculation result:
graphical display of the state of the detonation product CJ of the mixed explosive, hugoniot relationship and adiabatic isentropic expansion.
2. The method of claim 1, wherein in step 140, the thermodynamic equation of state parameters of the detonation product composition are expressed as polynomial fit functions with temperature as an argument.
3. The method of claim 1, wherein in step 240, the calculation of the detonation product CJ state includes calculation of the detonation velocity and detonation pressure of the hybrid explosive in the CJ state.
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