CN107944207A - 3 aviation kerosine alternative fuel of RP simplifies reaction model computational methods - Google Patents
3 aviation kerosine alternative fuel of RP simplifies reaction model computational methods Download PDFInfo
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Abstract
The invention discloses 3 aviation kerosine alternative fuel of RP to simplify reaction model computational methods, belongs to aero propulsion technical field.Present invention employs the chemical reaction mechanisms such as steady state approximation, partial equilibrium, sensitivity analysis and path analysis to simplify method, selection and its detailed chemical kimetics mechanism from 3 aviation kerosine alternative fuel of RP, the efficient computational methods that structure simplifies chemical reaction mechanism are given, construct the Chemical Reaction Model of the simplification of 3 aviation kerosine alternative fuel of RP.The simplification reaction mechanism computational efficiency of 3 aviation kerosine alternative fuel of RP constructed by the present invention is high, as a result accurately, is used directly in the numerical simulation of Combustion Flow Field, effective technical support is provided for the design and analysis of hypersonic propulsion system.
Description
Technical field
The present invention relates to aero propulsion technical field, more particularly to RP-3 aviation kerosines alternative fuel to simplify reaction model meter
Calculation method.
Background technology
Binding site of the scramjet engine technology as aeronautical and space technology, is related to multi-door subject, is multinomial forward position
The high integrity of technology.For the consideration to reaction rate, calorific value, cooling capacity, hydrocarbon fuel, especially complicated hydrocarbon combustion
Material, by the engine that is run under the conditions of Mach number 4~8.Hydrocarbon fuel burns indoor in scramjet engine
Mixing, igniting and combustion process, it is existing to contain the flowing of a series of complex such as violent shock discontinuity, multicomponent fast chemical reaction
As, it is a complicated turbulent mixing process, and the strong chemical kinetics characteristic for being controlled by fuel.
Aviation kerosine is made of as now widely used hydrocarbon fuel a series of mixing of hydrocarbons, it is contemplated that
The scale and efficiency of combustor structure, the alternative fuel of generally use one-component or multi-component fuel as aviation kerosine.
In this regard, domestic and foreign scholars propose aviation kerosine a variety of alternative fuel and its simplify reaction model.But in current calculating
Under machine state-of-art, the detailed mechanism of the aviation kerosine proposed in the prior art is too huge, and constituent element and stoichiometric number are up to
Hundreds of thousands of kinds, it is difficult to directly apply to the indoor Computational fluid mechanics numerical simulation of actual scramjet engine burning.
A kind of optional fuel of the kerosene as scramjet engine, is the mixture of a variety of hydrocarbons, composition because
The factors such as preparation method, the place of production it is different and different, therefore for domestic RP-3 aviation kerosines chemical reaction mechanism research just
It is particularly important, but the research of its simplification chemical kinetics is less.
Mainly include the chemical reaction mechanism of following several RP-3 alternative fuel in the prior art：
(1) 79% n-decane, the alternative fuel of 13% trimethyl-cyclohexane, 8% ethylo benzene as RP-3, Reduced mechanisms bag
It is very few that path is chemically reacted containing 22 constituent element, 18 step overall reaction, included in the reaction model, it is impossible to accurately give expression to fuel
Complex mechanism in combustion process；
(2) 73% n-dodecanes, 1,3,5- trimethyl-cyclohexanes, the alternative model of 12.3% n-propylbenzene, including 138
Species, 530 reactions, the constituent element and stoichiometric number which is included are excessive, and consumption excess is needed in numerical simulation
Computing resource；
(3) n-decane fuel, fuel are single, it is impossible to the physical attribute of aviation kerosine are accurately reflected, in this, as replacement
The Chemical Reaction Model of fuel cannot accurately express the chemical characteristic of slow reaction component in aviation kerosine.
To sum up, in the prior art, lack one kind can accurate response RP-3 aviation kerosine characteristics, and detailed mechanism is opposite
Simplified Chemical Reaction Model, disclosure satisfy that computational efficiency height, as a result accurately requires.
The content of the invention
The present invention provides RP-3 aviation kerosines alternative fuel to simplify reaction model computational methods, constructed RP-3 aviations
The simplification Chemical Reaction Model of kerosene alternative fuel, on the basis of accurate description RP-3 aviation kerosines, establishes the chemistry of 26 constituent element 89
The Chemical Reaction Model of reaction mechanism, computational efficiency is high, as a result accurately.
To reach above-mentioned purpose, the present invention adopts the following technical scheme that：
RP-3 aviation kerosines alternative fuel simplifies reaction model computational methods, including:
S1, the chemical reaction mechanism for building RP-3 aviation kerosine alternative fuel；
S2, determine the critical component in chemical reaction mechanism and key reaction, using method is simplified, by chemical reaction mechanism
Simplify, be simplified Chemical Reaction Model；
S3, using experiment and Simulation simplify Chemical Reaction Model, will simplify Chemical Reaction Model and chemistry it is anti-
Answer mechanism to be compared, determine the confidence level of the error and simplification produced during simplifying；Use computational fluid dynamics simulation
Performance of the alternative fuel in Actual combustion field flow, judges the confidence level of alternative fuel under true fuel efficiency environment.
Further, S1 includes:
S11, according to alternative fuel, from straight-chain hydrocarbons, cycloalkane, aromatic hydrocarbon response path, obtain the life of C4 ranks
Into thing, C0-C4 reaction models are used to product, build chemical reaction mechanism；
S12, using thermodynamic data storehouse and theoretical calculation, calculate the thermodynamics that constituent element is chemically reacted in chemical reaction mechanism
Parameter, is compared with the test data of chemical reaction mechanism, such as firing delay, flame speed, verifies chemical reaction mechanism
Correctness.
Further, S2 includes：
S21, using theory analysis and response path analysis method, determine the key reaction path of alternative fuel, it is crucial anti-
Answer path can not continue to simplify；
S22, using susceptibility assays, response path analysis method, steady state approximation method and partial equilibrium method, will change
Learn reaction mechanism in reaction process and product molar fraction less than 0.01% component and sensitiveness less than 1% component and its
The chemical reaction of participation removes, and chemical reaction similar in chemical reaction mechanism is merged into overall reaction；
S23, adjust the reaction rate of overall reaction to theory, is simplified Chemical Reaction Model.
Further, alternative fuel includes:The mixture of n-dodecane, trimethyl-cyclohexane and n-propylbenzene.
Further, key reaction includes:N-dodecane simplifies reaction, n-propylbenzene simplifies reaction, trimethyl-cyclohexane
Simplify reaction；
Wherein, n-dodecane simplifies reaction and includes：
C12H26+ H=>C12H25+H2
C12H26+ O=>C12H25+OH
C12H26+ OH=>C12H25+H2O
C12H26=>6C2H4+2H
C12H26=>5C2H4+2CH3
C12H25=>6C2H4+H
C12H25+ H=>5C2H4+2CH3
C12H25+O2=>6C2H4+HO2
C12H25+ CO=>6C2H4+CHO；
N-propylbenzene, which simplifies reaction, to be included：
C9H12+ H=>C7H7+2CH3
C9H12+O2=>C7H7+C2H4+HO2
C9H12+ CO=>C7H7+C2H4+CHO
C9H12=>C6H5+C2H4+CH3
C7H7+ O=>2C2H2+C2H3+CO
C7H7+ O=>C6H5+HCHO
C6H5+ 2O=C2H2+C2H3+2CO；
Trimethyl-cyclohexane, which simplifies reaction, to be included：
C9H18+O2=>C9H17+HO2
C9H18+ H=>C9H17+H2
C9H18+ O=>C9H17+OH
C9H18+ OH=>C9H17+H2O
C9H17+ H=>3C2H4+C2H3+CH3
C9H17+ 2H=>2C2H4+C2H2+3CH3
C9H18+O2=>C9H17+HO2。
Further, Chemical Reaction Model, including 26 constituent element, 89 reaction mechanism are simplified.
The beneficial effects of the invention are as follows:The present invention uses the mixture of n-dodecane, trimethyl-cyclohexane and n-propylbenzene
As alternative fuel, Chemical Reaction Model is simplified after the chemical reaction mechanism simplification of alternative fuel, simplifying chemical reaction is
Practical aloof scramjet combustor, has carried out Combustion Flow Field numerical simulation, and is compared with result of the test, as a result
Show, simplify Chemical Reaction Model while ensure that fuel ignition, combustion characteristics, reduce reactive component and stoichiometric number
Mesh, therefore effectively reduce CFD (Computational Fluid Dynamics computational fluid dynamicses) couple solution process
In solution variable and solve differential equation number, drastically increase computational efficiency, the number of Combustion Flow Field can be applied to
In value simulation, effective technical support is provided for the design and analysis of hypersonic propulsion system.
Brief description of the drawings
To describe the technical solutions in the embodiments of the present invention more clearly, below will be to needed in the embodiment
Attached drawing is briefly described, it should be apparent that, drawings in the following description are only some embodiments of the present invention, for ability
For the those of ordinary skill of domain, without creative efforts, it can also be obtained according to these attached drawings other attached
Figure.
Fig. 1 is that n-dodecane response path is analyzed in embodiment, wherein φ=1, P=1atm；
Fig. 2 is that n-propylbenzene response path is analyzed in embodiment, wherein φ=1, P=1atm；
Fig. 3 is that trimethyl-cyclohexane response path is analyzed in embodiment, wherein φ=1, P=1atm；
Fig. 4 is the temperature sensitivity coefficient of key reaction under different initial temperatures；
Fig. 5 is P=2atm, the ignition delay time of RP-3 aviation kerosine alternative fuel under the operating mode of Φ=1.0；
Fig. 6 is P=2atm, the ignition delay time of RP-3 aviation kerosine alternative fuel under the operating mode of Φ=2.0；
Fig. 7 is P=4atm, the ignition delay time of RP-3 aviation kerosine alternative fuel under the operating mode of Φ=1.0；
Fig. 8 is the laminar flame speed of RP-3 aviation kerosine alternative fuel under different operating modes；
Fig. 9 is the burning steady temperature contrast of RP-3 aviation kerosines alternative fuel；
Figure 10 contrasts for RP-3 aviation kerosine alternative fuel primary combustions product；
Figure 11 is scramjet engine flow field Mach Number Distribution cloud atlas；
Figure 12 is scramjet engine side wall static pressure distribution.
Embodiment
To make those skilled in the art more fully understand technical scheme, with reference to embodiment to this
Invention is described in further detail.
RP-3 aviation kerosines alternative fuel simplifies reaction model computational methods, including:
S1, the chemical reaction mechanism for building RP-3 aviation kerosine alternative fuel.
Consider the difficulty of numerical simulation, physical parameter, molecular weight, the C/Hratio of alternative fuel, chemical reaction simulation
The factor such as accuracy, select n-dodecane, trimethyl-cyclohexane, alternative fuel of the n-propylbenzene as RP-3 aviation kerosines.
According to alternative fuel, from straight-chain hydrocarbons, cycloalkane, aromatic hydrocarbon response path, the products of C4 ranks is obtained, to product
In small molecule use C0-C4 reaction models, build chemical reaction mechanism.
Using thermodynamic data storehouse and theoretical calculation, the thermodynamics ginseng that constituent element is chemically reacted in chemical reaction mechanism is calculated
Number, is compared with the test data of chemical reaction mechanism, such as firing delay, and flame speed, verifies chemical reaction mechanism
Correctness.
S2, determine the critical component in chemical reaction mechanism and key reaction, is analyzed using theory analysis and response path
Method, determines the key reaction path of alternative fuel, and key reaction path can not continue to simplify.
Consider the operating condition of actual scramjet engine, be 1.0,2.0 in equivalent proportion φ, just for alternative fuel
Beginning temperature is 1100K-1500K, and chemical reaction numerical simulation has been carried out under conditions of pressure 1.0,2.0atm.
N-dodecane is typical straight-chain hydrocarbons, and in diffusive combustion process, straight chain hydrocarbon fuel is mixed with air first, into
Row low-temperature oxidation simultaneously discharges a part of heat, and pyroreaction starts rapidly and releases a large amount of after the of short duration active group reserve period
Heat, generates final combustion product.The above process mainly low-temperature oxidation comprising macromolecule hydrocarbon, the reaction of two class of Pintsch process.It is real
For border scramjet engine combustion chamber operational temperature usually in more than 1000K, Fig. 1 gives initial pressure 1atm, and equivalent proportion is
1.0, n-dodecane combustion reaction path when initial temperature is respectively 1100K, 1500K.Each reaction is described by numerical value in Fig. 1
Path proportion in n-dodecane decomposable process, wherein, n-dodecane consumption rate reaches 20%, initial temperature 1500K
Acquired results represented with runic.According to Fig. 1：1) response path of long-chain molecule is very much, with C-H singly-bounds in alkane molecule
Based on the alkyl for being broken generation, either large or small alkyl is generated after a small amount of alkane C -- C single bond fracture；2) with the rise of temperature, C-C
Singly-bound is broken obtained product proportion and gradually increases.Therefore, the decomposition of alkane molecule can be summarised as to following two
Path：1) with each free radical dehydrogenation reaction generation alkyl occurs for alkane molecule, and β-decomposition reaction occurs under the high temperature conditions for alkyl,
This is also the key reaction path that n-dodecane decomposes；2) under hot conditions, C -- C single bond is broken generation size not in alkane molecule
β-decomposition reaction occurs under the high temperature conditions for one alkyl, alkyl, generates the alkyl and alkene of more small molecule.With reference to above-mentioned two
The main decomposition reaction path of straight-chain hydrocarbons, obtains n-dodecane and simplifies reaction, as shown in the table.
For products such as the aromatic hydrocarbon that is generated in accurate simulation kerosene combustion process, n-propyl is with the addition of in alternative fuel
Benzene.Fig. 2 gives initial pressure 1atm, and equivalent proportion 1.0, propylbenzene decomposes anti-when initial temperature is respectively 1100K, 1500K
Path is answered, gained analog result when taking the propylbenzene consumption rate to reach 20%.As shown in Fig. 2, reaction and the straight chain of substituent part
Alkane is similar：During 1100K, decomposition reaction is based on propylbenzene dehydrogenation reaction, phenylpropyl and then generation β-decomposition generation of generation
Benzyl or styrene；Under hot conditions, substituent part is easier that β-decomposition occurs, and generates ethene and benzyl；Propylbenzene
Although decomposable process has a plurality of response path, but most important intermediate product is phenyl.The above analysis, can be by phenylpropyl
Decomposition is summarised as following two paths：1) dehydrogenation reaction and β-decomposition generation benzyl, Ran Houqu occur on propylbenzene substituent
The upper C -- C single bond fracture generation phenyl of Dai Ji；2) C -- C single bond is directly broken generation phenyl on substituent.Phenyl can be with each substituent
Reaction, cracks quickly under the high temperature conditions, generates cyclopentadiene and carbon monoxide.By repeat " oxygenation-removal of carbon monoxide " this
One process, cyclopentadiene are gradually cracked into small-molecule substance.Under hot conditions, the intermediate product service life such as phenoxy group, cyclopentadiene
It is shorter, therefore here it is considered that phenyl, which directly decomposes, obtains final product acetylene and carbon monoxide, it is as follows that n-propylbenzene simplifies reaction
Shown in table.
Alternative fuel replaces cycloalkane included in aviation kerosine using trimethyl-cyclohexane.Due to cycloalkane and alkane
Hydrocarbon is saturated hydrocarbons, it can thus be assumed that cycloalkane has and Pintsch process mechanism as alkanes.But relative to alkane, cycloalkanes
Hydrocarbon is more stable, i.e., can be cracked at higher temperatures compared to alkane.Fig. 3 gives initial pressure 1atm, equivalent proportion
For 1.0,1,3,5- trimethyl-cyclohexane decomposition reaction path, takes its consumption rate to reach when initial temperature is respectively 1100K, 1500K
To gained analog result when 20%.As shown in figure 3, for multi-substituent cycloalkane, carbon atom phase that methyl is connected with naphthenic ring
C -- C single bond even is easily broken off that open loop and dehydrogenation reaction occurs with C-H singly-bounds, this is because the less reason of its bond energy；Open loop
Reaction afterwards is similar with linear paraffin, i.e., β-decomposition occurs under the high temperature conditions, ultimately generates the alkene and alkyl of small molecule.It is comprehensive
The analysis of above response path is closed, under the reasonable assumption of the various isomers produced in ignoring decomposable process, it is believed that cycloalkanes
With alkene β-decomposition reaction occurs rapidly under the high temperature conditions for the alkyl formed after hydrocarbon dehydrogenation open loop, generates the alkyl of more small molecule
With alkene, it is as shown in the table to finally obtain trimethyl-cyclohexane simplification reaction.
Using susceptibility assays, response path analysis method, steady state approximation method and partial equilibrium method, analysis and summary
Temperature sensitivity coefficient under each operating mode, unessential chemical reaction constituent element and chemical reaction in chemical reaction mechanism are removed.
Simplify reaction mechanism to be further, while ensure to include the primary combustion product of fuel combustion in mechanism, analyze
Reaction reaches the molar fraction of each constituent element during stable state, ignores the component that molar fraction is less than 0.01%.Simplify obtained mechanism
It is made of 78 kinds of components, 226 kinds of reactions, wherein including the free radicals such as O, H, OH, HCO, CH, C2H2、C2H4Deng unsaturated hydrocarbon-based
Group, also comprising C11H23Deng macro-radical correlated response.
Retain alternative fuel key reaction path, similar reaction and unessential reaction are simplified, merged, and herein
On the basis of retain H2、CO、C2H2、C2H4Elementary reaction included in oxidizing process, finally obtains simplified Chemical Reaction Model, letter
The Reduced mechanisms for changing Chemical Reaction Model are reacted comprising 26 constituent elements 89 altogether.
Since the embodiment of the present invention describes using overall reaction the decomposition of each macromolecular hydrocarbon, unavoidably
Meeting ignore part constituent element and elementary reaction, prediction fuel igniting and combustion characteristics on will necessarily have necessarily with natural fuel
Difference.To ensure in the operation interval of ultra-combustion ramjet combustion chamber, which can preferably predict RP-
The ignition delay time of 3 aviation kerosines, analyzes the sensitiveness of each reaction for reaction temperature, anti-by adjusting each total bag
The chemical reaction rate answered, ensures the correctness of fuel fire time delay being calculated using the reaction mechanism after simplifying,
The reaction rate of overall reaction is adjusted to theory, Reduced mechanisms are done with further amendment.
It is 2.0atm to initial pressure, during equivalent proportion 1.0, initial temperature is respectively 1100K, 1200K, 1300K, 1400K
Under the conditions of, sensitivity analysis is carried out to steady temperature.It is larger that Fig. 4 gives 13 sensitivity coefficient absolute values in Reduced mechanisms
Reaction, wherein sensitivity coefficient promote igniting just to represent the reaction, then suppress igniting in contrast.Figure 4, it is seen that
In whole temperature range, the elementary reaction having a great influence to steady temperature is usually with OH, CH, CH3、CH2、HO2、H2O2Deng
The generation and consumption of free radical.This is because above-mentioned free radical is the important intermediate in hydrocarbon compound combustion process,
Property is active, serves as carrier in chain reaction, and autophage while produces new activated group, promotes more reaction hair
It is raw, have a great influence to fuel ignition process.Meanwhile overall reaction under different initial temperatures to the sensitivity of ignition delay time
Property has very big difference.When initial temperature is 1100K, the cracking reaction of macromolecular hydrocarbon has embodied larger temperature
Sensitivity coefficient, with the increase of temperature, its sensitivity coefficient reduces rapidly, can ignore substantially when temperature is higher than 1400K
Disregard.
Using ignition delay time as object function, the size according to temperature sensitivity coefficient is to the reaction rate of overall reaction
Coefficient is adjusted through row.It can also be found during the adjustment of reaction velocity coefficient, the change of reaction velocity coefficient is to firing delay
Time effects reduce with the increase of temperature.This is because under the hot conditions of more than 1000K, β-decomposition reaction and dehydrogenation are anti-
Leading position should be occupied in combustion, the generation and consumption for constantly having intermediate product；When temperature further raises, environment
Activation energy needed for remote super-reaction, the intermediate product of fuel combustion rapidly disappear the energy that temperature provides, are completely decomposed into small point
Sub- alkene and alkyl, influence of the decomposition of macromolecular hydrocarbon at this time to ignition delay time reduce, this also indicates that total bag
Reaction can summarize the Pintsch process process of alternative fuel well.
S3, using experiment and Simulation simplify Chemical Reaction Model, will simplify Chemical Reaction Model and chemistry it is anti-
Answer mechanism to be compared, determine the confidence level of the error and simplification produced during simplifying；Use computational fluid dynamics simulation
Performance of the alternative fuel in Actual combustion field flow, judges the confidence level of alternative fuel under true fuel efficiency environment.
It is whether accurate for description of the verification Reduced mechanisms to ignition delay time, in temperature range 1100-1500K, pressure
For 2.0-4.0atm, under conditions of stoichiometric ratio 1.0,2.0, when simulating the firing delay of RP-3 aviation kerosines burning
Between.Fig. 5~Fig. 7 gives different pressure with the detailed mechanism of 7959 elementary reactions and the letter of 89 reactions are respectively adopted under equivalent proportion
Change the alternative fuel ignition delay time that Mechanism simulation obtains, and contrasted with the test data under corresponding operating mode.Fig. 5 gives
Pressure 2atm is gone out, ignition delay time variation with temperature during equivalent proportion 1.0, as shown in figure 5, ignition delay time is with temperature
Increase and reduce；As shown in fig. 6, at the same pressure, with the increase of equivalent proportion, ignition delay time increases on the contrary, this
Be due in the case where equivalent proportion is 2.0 rich, part of fuel can not completely burned, heat rate of release slows down, and illustrates letter
Change mechanism accurate simulation fuel and the unsaturated groups such as alkene, alkynes this processes is cracked to form under conditions of relatively hypoxia；
Comparison diagram 5 and Fig. 7 are understood, under conditions of equivalent proportion is 1.0, with the increase of pressure, ignition delay time reduces.With experiment
The comparing result of data shows, using the alternative fuel ignition delay time that Reduced mechanisms are calculated and examination under each operating mode
Test data error and be approximately less than 10%, it is believed that in the range of equivalent proportion 1.0~2.0, pressure 2atm~4atm, 26 constituent elements 89 are anti-
Mechanism is answered to can be very good the ignition delay time of simulation RP-3 aviation kerosines.
To verify the combustion characteristics of Reduced mechanisms, in temperature 390K, pressure range 0.1-0.5MPa, equivalent proportion 0.8-
Under conditions of 1.5, the laminar flame speed of RP-3 aviation kerosines is simulated, and carried out pair with the experimental data under corresponding operating mode
Than analysis.Laminar flame speed is reduced with the increase of pressure as shown in Figure 8.In addition, under same pressure, increase with equivalent proportion,
Laminar flame speed has the trend of first increases and then decreases, between its speed maximum appears in equivalent proportion 1.1-1.2, this is because
When equivalent proportion is less than 1, fuel is in poor oil firing's state, and fuel is sufficient at this time, more violent with the increase reaction of oxidant, right
The laminar flame speed increase answered；When equivalent proportion is slightly larger than 1, the specific heat of combustion reduction rate of combustion product is more than the reduction of thermal discharge
Rate, although the total amount of thermal discharge not as good as equivalent proportion is 1, its heat discharged can lift the laminar flame speed of higher；With
Equivalent proportion further increases, oxidant deficiency, fuel can not completely burned, laminar flame speed also declines therewith.With testing number
According to comparing result show, under each operating mode Reduced mechanisms calculate obtained by laminar flame speed error compared with test data it is equal
Less than 10%, it is believed that in the range of equivalent proportion 0.8-1.5, pressure 0.1MPa~0.5MPa, the accurate mould of 26 constituent element, 89 reaction mechanism
Intend the laminar flame speed of RP-3 aviation kerosines.
For further verification Reduced mechanisms to alternative fuel combustion characteristics description whether close to detailed mechanism as a result,
In initial temperature 1500K, under conditions of pressure is 2.0atm, 89 steps are respectively adopted and simplify reaction mechanism and 7959 step detailed reactions
Mechanism simulation combustion product and steady temperature of the alternative fuel in complete stirred reactor.As shown in figure 9, in reactor
Steady temperature and reaches peak value with the increase first increases and then decreases of equivalent proportion between 1.1-1.2.Institute is simulated using Reduced mechanisms
Obtain steady temperature and detailed mechanism analog result is basically identical, error is maximum to be no more than 0.3%.Figure 10 compares differential responses machine
Reason obtained primary combustion product CO, CO2, H2, the H2O molar fraction of simulation with equivalent proportion change.Comparison diagram 9 and Figure 10 can be with
Find out, under lean conditions, fuel is sufficient, and combustion reaction is more violent with the increase of oxidant O2, corresponding stable state temperature
Degree rise；And under the conditions of rich oil, oxidant deficiency, fuel can not completely burned, it is cumulative to react the H2 of generation, burned
The total amount of heat discharged in journey reduces, and corresponding steady temperature reduces.The above analysis is as a result, show in selected equivalence ratio range
The result base of alternative fuel burning steady temperature that is interior, being simulated using Reduced mechanisms, combustion product concentration and detailed mechanism
This coincidence, illustrates that detailed machine can be replaced interior in a big way by simplifying 26 constituent element, the 89 step Reduced mechanisms obtained through this patent method
Reason, reflects the combustion characteristics of alternative fuel.
Corresponding numerical model is established for scramjet engine combustion chamber, has carried out RP-3 aviation kerosines burning stream
Numerical Simulation, and contrasted with result of the test.Combustion chamber dimensions, configuration are derived from the direct-connected ultrasound of the National University of Defense technology
Fast combustion experimental system, uses in numerical computations guiding hydrogen to light a fire to ensure fuel stabilization ignition, gaseous state kerosene
Combustion chamber is injected with the velocity of sound by the nozzle of cavity upstream respectively with guiding hydrogen, installation site respectively away from cavity leading edge 8mm and
20mm.Incoming air keeps total temperature 1430K, stagnation pressure 3.6MPa, Mach number 3.46, gaseous state kerosene holding total temperature 780K, stagnation pressure
2.0MPa, Mach number 1.0, equivalent proportion Φ=1.06, guiding hydrogen keep total temperature 1560K, stagnation pressure 0.15MPa, Mach number 1.0,
Equivalent proportion Φ H=0.09.It is normal to can be seen that the Mach Number Distribution in whole flow field from the Mach number cloud atlas of Figure 11, with having delivered
Document is consistent.The scramjet engine side wall static pressure distribution of Figure 12 also demonstrates new 26 constituent element that the present invention establishes at the same time
Application of the 89 reaction Reduced mechanisms in complex flowfield is successful.
Above-mentioned analysis result shows, the simplification Chemical Reaction Model of present invention gained can accurate description ultra-combustion ramjet start
The whole chemical dynamics process and characteristic of fuel combustion, can characterize combustion reaction convection current field structure and wall in machine combustion chamber
The influence of parameter, and numerical computations consumption has stronger future in engineering applications in tolerance interval.
The present invention effective effect be：The present invention uses the mixture of n-dodecane, trimethyl-cyclohexane and n-propylbenzene
As alternative fuel, Chemical Reaction Model is simplified after the chemical reaction mechanism simplification of alternative fuel, simplifying chemical reaction is
Practical aloof scramjet combustor, has carried out Combustion Flow Field numerical simulation, and is compared with result of the test, as a result
Show, simplify Chemical Reaction Model while ensure that fuel ignition, combustion characteristics, reduce reactive component and stoichiometric number
Mesh, therefore effectively reduce CFD (Computational Fluid Dynamics computational fluid dynamicses) couple solution process
In solution variable and solve differential equation number, drastically increase computational efficiency, the number of Combustion Flow Field can be applied to
In value simulation, effective technical support is provided for the design and analysis of hypersonic propulsion system.
The above description is merely a specific embodiment, but protection scope of the present invention is not limited thereto, any
Those familiar with the art the invention discloses technical scope in, the change or replacement that can readily occur in, all should
It is included within the scope of the present invention.Therefore, protection scope of the present invention should be subject to scope of the claims.
Claims (6)
1.RP-3 aviation kerosines alternative fuel simplifies reaction model computational methods, it is characterised in that including:
S1, the chemical reaction mechanism for building RP-3 aviation kerosine alternative fuel；
S2, determine the critical component in the chemical reaction mechanism and key reaction, using method is simplified, by the chemical reaction
Mechanism simplification, is simplified Chemical Reaction Model；
S3, using described in experiment and Simulation simplify Chemical Reaction Model.
2. RP-3 aviation kerosines alternative fuel according to claim 1 simplifies reaction model computational methods, it is characterised in that
The S1 includes:
S11, according to the alternative fuel, from straight-chain hydrocarbons, cycloalkane, aromatic hydrocarbon response path, obtain the life of C4 ranks
Into thing, C0-C4 reaction models are used to the product, build the chemical reaction mechanism；
S12, calculate the thermodynamic parameter that constituent element is chemically reacted in the chemical reaction mechanism, the examination with the chemical reaction mechanism
Test data to be compared, verify the correctness of the chemical reaction mechanism.
3. RP-3 aviation kerosines alternative fuel according to claim 1 simplifies reaction model computational methods, it is characterised in that
The S2 includes：
S21, using theory analysis and response path analysis method, determine the key reaction path of the alternative fuel, the pass
Key response path can not continue to simplify；
S22, using susceptibility assays, response path analysis method, steady state approximation method and partial equilibrium method, by describedization
Learn reaction mechanism in reaction process and product molar fraction less than 0.01% component and sensitiveness less than 1% component and its
The chemical reaction of participation removes, and chemical reaction similar in the chemical reaction mechanism is merged into overall reaction；
S23, adjust the reaction rate of the overall reaction to theory, obtains the simplified Chemical Reaction Model.
4. RP-3 aviation kerosines alternative fuel according to claim 1 simplifies reaction model computational methods, it is characterised in that
The alternative fuel includes:The mixture of n-dodecane, trimethyl-cyclohexane and n-propylbenzene.
5. RP-3 aviation kerosines alternative fuel according to claim 4 simplifies reaction model computational methods, it is characterised in that
The key reaction includes:N-dodecane simplifies reaction, n-propylbenzene simplifies reaction, trimethyl-cyclohexane simplifies reaction；
Wherein, the n-dodecane simplifies reaction and includes：
C12H26+ H=>C12H25+H2
C12H26+ O=>C12H25+OH
C12H26+ OH=>C12H25+H2O
C12H26=>6C2H4+2H
C12H26=>5C2H4+2CH3
C12H25=>6C2H4+H
C12H25+ H=>5C2H4+2CH3
C12H25+O2=>6C2H4+HO2
C12H25+ CO=>6C2H4+CHO；
The n-propylbenzene, which simplifies reaction, to be included：
C9H12+ H=>C7H7+2CH3
C9H12+O2=>C7H7+C2H4+HO2
C9H12+ CO=>C7H7+C2H4+CHO
C9H12=>C6H5+C2H4+CH3
C7H7+ O=>2C2H2+C2H3+CO
C7H7+ O=>C6H5+HCHO
C6H5+ 2O=C2H2+C2H3+2CO；
The trimethyl-cyclohexane, which simplifies reaction, to be included：
C9H18+O2=>C9H17+HO2
C9H18+ H=>C9H17+H2
C9H18+ O=>C9H17+OH
C9H18+ OH=>C9H17+H2O
C9H17+ H=>3C2H4+C2H3+CH3
C9H17+ 2H=>2C2H4+C2H2+3CH3
C9H18+O2=>C9H17+HO2。
6. RP-3 aviation kerosines alternative fuel according to claim 5 simplifies reaction model computational methods, it is characterised in that
The simplified Chemical Reaction Model, including 26 constituent element, 89 reaction mechanism.
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