CN110069856A - CFD system and implementation method based on adaptive reaction mechanism - Google Patents
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Abstract
A kind of CFD system and implementation method based on adaptive reaction mechanism, it include: that flowing solves module, adaptive mechanism retrieval module, chemically react module, adaptive mechanism generation module and adaptive mechanism memory module, the present invention calls reaction mechanism to may be coupled directly to other CFD platforms and uses according to reaction condition, adaptive mechanism component is kept by generating, the adaptive mechanism of the constant optimization of elementary reaction, choose target detailed mechanism and known Reduced mechanisms, divide different conversion zones, zero dimension ignition delay time is chosen as objective function, optimize known Reduced mechanisms parameter.
Description
Technical field
It is specifically a kind of based on adaptive reaction mechanism the present invention relates to a kind of technology of field of flight vehicle design
Fluid Mechanics Computation (Computational fluid dynamics, CFD) system and implementation method.
Background technique
Requirement of the aircraft to engine performance is higher and higher, and the Numerical Simulation Problems of associated combustion chamber reaction stream, which become, to be ground
Study carefully hot spot.Since the detailed reaction mechanism of fuel usually contains component up to a hundred, thousands of elementary reactions, calculated in existing CFD
Under method frame, calculation amount and component number N square or cube and elementary reaction number R it is directly proportional.And detailed mechanism meeting
Cause the chemical reaction source item differential equation rigidly excessive, is tied to can only prevent from calculating using small time step in CFD calculating
Fruit diverging.Therefore detailed reaction mechanism is difficult to be applied directly in the calculating of CFD numerical value.The reaction machine actually used in CFD calculating
Reason is essentially Reduced mechanisms, but Reduced mechanisms can not be consistent under wide scope reaction condition with detailed mechanism calculated result,
Especially difference is larger under low temperature, lower pressure.
The accuracy of Reduced mechanisms can be improved in adaptive mechanism method, and core concept is according to differential responses condition letter
Change detailed mechanism, obtains different simplified reaction mechanisms, and corresponding mechanism is selected according to reaction condition in CFD calculating.But simplify
Obtained different mechanism components and elementary reaction difference, need to carry out additional modifications to chemical reaction program in CFD calculating.Together
When current adaptive mechanism method mostly use simplify method in real time greatly, Reduced mechanisms are obtained according to current flow field state and are called,
On the one hand it needs to simplify method using direct relation figure method, path flux method etc. in a program, limits adaptive reaction mechanism
Popularization and use;On the other hand calculation amount when CFD program numerical simulation is added additional, adaptive reaction mechanism is reduced
Acceleration effect in CFD simulation.In order to effectively use adaptive reaction mechanism in CFD is calculated, need to improve existing CFD
Computational frame, and develop new adaptive mechanism generation method, it is ensured that by new CFD frame, adaptive mechanism can be with CFD journey
Sequence direct-coupling uses.
Summary of the invention
The present invention In view of the above shortcomings of the prior art, proposes a kind of CFD system based on adaptive reaction mechanism
And implementation method, it calls reaction mechanism to may be coupled directly to other CFD platforms according to reaction condition and uses, kept by generating
The constant adaptive mechanism of optimization of adaptive mechanism component, elementary reaction, chooses target detailed mechanism and known Reduced mechanisms, draws
Divide different conversion zones, chooses zero dimension ignition delay time as objective function, optimize known Reduced mechanisms parameter.
The present invention is achieved by the following technical solutions:
The present invention includes: that flowing solves module, adaptive mechanism retrieval module, chemical reaction module, the life of adaptive mechanism
At module and adaptive mechanism memory module, in which: it is logical according to NS equation calculation flow field convective flux, viscosity that flowing solves module
Pressure information of flow and temperature information of flow are measured and update, adaptive mechanism retrieval module is in each of description flow field spatial position
Corresponding adaptive reaction mechanism is called according to the pressure information of flow of current grid and temperature information of flow at grid, chemistry is anti-
It answers module to be calculated according to corresponding adaptive reaction mechanism and chemically reacts and update the pressure information of flow in flow field, temperature flow field letter
Breath and reactive component information, adaptive mechanism generation module choose detailed chemical kimetics mechanism from existing chemical reaction mechanism
And the Reduced mechanisms comprising backbone mechanism, conversion zone is divided according to wide scope reaction condition, then assesses Reduced mechanisms base
Elementary reaction reaction rate is to the influence degree of zero dimension ignition delay time, and using zero dimension ignition delay time as objective function,
Each region iteration optimization mechanism parameter, component that mechanism memory module is saved according to quaternary tree form, elementary reaction are not
The adaptive mechanism of updated optimization become.
The NS equation refers to: governing equation is form are as follows:NS equation,
In: Q is conservation variable, and E and F are convective flux, EvAnd FvFor sticky flux.
The component, elementary reaction is constant refers to: it is identical with the component of Reduced mechanisms, elementary reaction, and it is each not
It is remained unchanged with conversion zone, but its rate parameter can be optimized according to detailed mechanism calculated result.
The detailed chemical kimetics mechanism refers to: including all intermediate products, elementary reaction in reactant chemical reaction
Mechanism, such as the detailed combustion mechanism GRI3.0 of methane.
The Reduced mechanisms refer to: component, the elementary reaction obtained to detailed mechanism using simplified, optimization method is less
Mechanism (component 10 is hereinafter, 20 or less elementary reaction), such as oxyhydrogen combustion mechanism ES08.Wherein simplify, optimization method include but
It is not limited to local basis of sensitivity analysis method, Principal Component Analysis, direct relation figure method, path flux method, genetic algorithm.
The wide scope reaction condition refers to fuel and air equivalent ratio is 1, temperature range 900-1800K, pressure model
Enclose 0.1-10atm.
The division conversion zone refers to: calculating the zero dimension of the detailed mechanism and Reduced mechanisms in wide scope reaction condition
Ignition delay time constructs point zero dimension ignition delay time response face by interpolation, assesses detailed mechanism and Reduced mechanisms zero dimension point
The difference of ignition delay time, Loop partition conversion zone.
The zero dimension ignition delay time refers to: using insulation etc. precursor reactants mechanism, calculate given temperature, pressure, when
Chemical reaction process under the conditions of amount ratio, derivation numerical value of the record temperature T to time tDefinitionFor reaction process
The maximum value of middle derivative value,The corresponding time is known as ignition delay time (idt, ignition delay time).
Ignition delay time characterizes reactant and starts the time interval for being reacted to vigorous reaction, and after reaching the idt time, reactant is rapid
It reacts and externally quick release heat makes temperature rise arrival reaction end-state.The point that detailed mechanism will be used to be calculated
The ignition delay time is detailed mechanism ignition delay time, is denoted as idtt, when the firing delay that Reduced mechanisms will be used to be calculated
Between be Reduced mechanisms ignition delay time, be denoted as idts。
Described is referred to by an interpolation building point zero dimension ignition delay time response face: selection interpolation point first, in equivalent proportion
It is 1, totally 361 temperature, pressure combine for selection 19 × 19 in temperature range 900-1800K, pressure range 0.1-10atm, wherein
Temperature is chosen at interval of 50K, totally 19 temperature samples, and pressure is chosen in the section 0.1-1atm at interval of 0.1atm, 1atm-
It is chosen in the section 10atm at interval of 1atm, totally 19 pressure samples, then calculates the igniting under 361 temperature, pressure combination
Delay time combines any temperature in [900K, 1800K] × [0.1atm, 10atm], pressure, three times using two dimension
Convoluting interpolation obtains the combination and corresponds to ignition delay time.
The difference of the assessment detailed mechanism and Reduced mechanisms zero dimension ignition delay time refers to: first incite somebody to action [900K,
1800K] × the two-dimensional space of [0.1atm, 10atm] is evenly dividing that totally 2500 subintervals, i.e. temperature are evenly dividing for 50 × 50
For 50 equal parts, pressure is evenly dividing as 50 equal parts, calculates the customized relative error parameter Re of all subregion, Re characterization is to by joining
The estimated value of Reduced mechanisms and detailed mechanism ignition delay time relative error after number optimization.Here remember the igniting of detailed mechanism
Delay time is idtt, the ignition delay time of Reduced mechanisms is idts, and under the conditions of equivalent proportion is 1, ignition delay time is only
For temperature T, pressure P function, it is denoted as idtt(p, t), idts(p, t).If current sub-region is [Pa, Pb]×[Ta, Tb], in region
Heart point (Pm, Tm), thenOnly related to when subregion
And ignition delay time obtained by two-dimentional cubic convolution interpolation.
The Loop partition conversion zone refers to: when the estimation of detailed mechanism and Reduced mechanisms ignition event relative error
Current sub-region is then further evenly dividing as four sub-regions, and is iterated comments to four sub-regions respectively by Re > 5%
Estimate, when the relative error of all areas estimates Re < 5%, illustrates that current region meets the required precision after optimization, be not required to
Want further subregion.
The assessment refers to: using Global Sensitivity analysis method computational short cut mechanism ignition delay time for each base
The sensitivity coefficient of elementary reaction reaction rate.
The influence degree includes: Global Sensitivity coefficient and the sensitivity coefficient based on variance, in which: Global Sensitivity coefficient
Size characterize the variation of each elementary reaction reaction rate for the percentage contribution of total ignition delay time variation;It is based on
The sensitivity coefficient of variance characterizes the contribution due to input variation range for output population variance.
The Global Sensitivity coefficient specifically: the mathematical model for considering following n input variable represents n with vector x
Input variable, scalar y represent output, y=f (x), x ∈ Kn, input x and be defined on n dimension unit cube KnOn, f (x) is done
Sobol is decomposed, i.e., carries out polynomial expansion to f (x), independent variable function is expanded into, when f (x) is in KnOn when can accumulate, expanded form
It is unique:
Wherein:
The multinomial of expansion meets: It represents in addition to xi
Outer variable is integrated,It represents in addition to xiAnd xjOuter variable is integrated.
Polynomial expansion item of higher order and so on decomposes the Sobol being unfolded based on variance, can be by inputting x
Domain KnCalculate its variance for exporting y=f (x), population varianceAnd consider wherein { i1...isDefeated
Enter the output variance that variable interaction generates are as follows:
The sensitivity coefficient based on varianceWherein: global quick
Spend coefficientTo be all comprising xiSensitivity coefficient adduction, that is, represent variable xiTribute of the input range for f (x) output variation
It offers,It is bigger, characterize variable xiIts dependent variable of influence compared to to(for) f is more obvious, xiNumerical value significantly affects f.(Sudret
B.Globalsensitivity analysis using polynomial chaos expansions[J].Reliability
Engineering&system safety, 2008,93 (7): 964-979.).
Described refers to using zero dimension ignition delay time as objective function: calculating under each temperature T, pressure P subregion in detail
Mechanism ignition delay time, using the ignition delay time of detailed mechanism as the objective function of Reduced mechanisms parameter optimization.Super
In velocity of sound combustion problem, reaction mechanism ignition delay time is important macroparameter, determines the ignition location in combustion chamber, because
This chooses ignition delay time as objective function.
Described refers in each region iteration optimization mechanism parameter: to each temperature T, pressure P subregion, choosing global
Sensitivity coefficient STMaximum elementary reaction remembers that the elementary reaction is Rmax, the elementary reaction initial parameter value is provided, iteration is started
Optimize reaction mechanism parameter, the Reduced mechanisms ignition delay time after optimization is allowed to move closer to detailed mechanism ignition delay time.
The elementary reaction parameter refers to: in Arrhenius formula (Arrhenius equation),Parameter, in which: k is rate constant, RuFor molar gas constant, T is thermodynamic temperature, and Ea is apparent living
Change energy, A is pre-exponential factor or frequency factor;It is defined by three parametric functions of Arrhenius modification, forward reaction rateβ is humidity index, backward reaction rate kbIt can be solved by the equilibrium constant.
The initial value refers to: the maximum elementary reaction R of Global Sensitivity coefficient in Reduced mechanismsmaxPre-exponential factor it is excellent
Change initial value.If before not optimized, RmaxPre-exponential factor or frequency factor are A0, then R when optimizing beginningmaxPre-exponential factor is changed to
A=A0* rate, rate=idts(Pm, Tm)/idtt(Pm, Tm), rate is used for pre-exponential factor size after Estimation Optimization, accelerates excellent
Change.idts(Pm, Tm) be current region Reduced mechanisms ignition delay time, idtt(Pm, Tm) be current region detailed mechanism
Ignition delay time.
The iteration optimization refers to: calculating the ignition delay time idt of the Reduced mechanisms of current regions(Pm, Tm), when
idts(Pm, Tm) < idtt(Pm, Tm), then the maximum elementary reaction R of Global Sensitivity coefficientmaxPre-exponential factor A=D0*A(D0< 1, pushes away
Recommend value 0.9), that is, reduce reaction rate, this process n times of iteration, until idts(Pm, Tm) > idtt(Pm, Tm);Otherwise Global Sensitivity
The maximum elementary reaction R of coefficientmaxPre-exponential factor A=I0*A(I0> 1, recommendation 1.1), that is, increase reaction rate, this mistake of iteration
Journey n times are to idts(Pm, Tm) < idtt(Pm, Tm), then in n-1 iteration An-1With n times iteration AnBetween there are optimized parameters
Aexact' make idts(Pm, Tm)≈idtt(Pm, Tm), in An-1With AnBetween uniformly generate parameter A, make idts(Pm, Tm) and idtt
(Pm, Tm) the smallest A of deviation is Aexact.In CFD calculating, it is primarily upon macroscopic property such as temperature, pressure, the igniting in flow field
Delay time, Reduced mechanisms and detailed mechanism itself response path, component etc. are different, and concentration of component etc. is during the reaction
It is not identical, therefore iteration optimization pre-exponential factor is selected, using maroscopic quantity ignition delay time as objective function.
The quaternary tree form refers to: the data structure of conversion zone and its subregion is quaternary tree data structure.For
And CFD is used in combination, and needs conversion zone and corresponding mechanism parameter write-in text file, and retain data structure pass
System, therefore according to quaternary tree data root, leaf level, reaction mechanism is stored into chain type self-defining data structure, each chain type
The corresponding root node of element records its child node position in the array, and last leaf node records corresponding without child node
Reaction mechanism parameter.
Technical effect
Compared with prior art, the present invention generates the adaptive reaction mechanism for keeping component, elementary reaction constant, so that
Adaptive mechanism retrieval module may be coupled directly in other CFD programs, without modifying the chemical reaction journey of original program
Sequence, use easy to spread.Relative to the CFD system for using single Reduced mechanisms, consider that the CFD system of adaptive reaction mechanism exists
When simulation flowing combustion problem, it is possible to reduce calculate the time, improve computational accuracy.
Detailed description of the invention
Fig. 1 is present system schematic diagram;
Fig. 2 is 1 flow chart of embodiment, i.e., adaptive mechanism product process figure;
Fig. 3 is that adaptive recording parameters store schematic diagram in embodiment 1;
Fig. 4 is that adaptive mechanism retrieves schematic diagram in embodiment 2;
Fig. 5 is the adaptive mechanism zoning plan of embodiment 1;
Fig. 6 is multiple figure of 1 correction parameter of embodiment relative to original parameter;
Fig. 7 is the hygrogram under the conditions of 2atm, 1000K, H2/O2/N2 molar ratio 2:1:3.76 of embodiment 3;
Fig. 8 is the hygrogram under the conditions of 2atm, 950K, H2/O2/N2 molar ratio 2:1:3.76 of embodiment 3;
Fig. 9 is magnitude disparity map of the KS mechanism ignition delay time relative to adaptive mechanism result in embodiment 4;
Figure 10 is magnitude disparity map of the KS mechanism ignition delay time relative to ES mechanism result in embodiment 4;
Figure 11 is two-dimentional oblique shock wave embodiment in embodiment 5, considers the CFD system-computed result and ES of adaptive mechanism
The ignition location comparison diagram of mechanism, KS mechanism.
Specific embodiment
The present embodiment realizes that environment is Integrated Development Environment (IDE, Integrated Development
It Environment) is Visual Studio Community 2017, compiler is Intel Parallel Studio XE
Intel (R) Visual Fortran Compiler in 2018 softwares, using Release mode operation, computer CPU is
Intel Intel Core i7 6700K.
Embodiment 1
As shown in Figure 1, being the present embodiment system structure, this system includes: that flowing solves module, adaptive mechanism retrieval mould
Block, chemical reaction module, adaptive mechanism generation module and adaptive mechanism memory module, in which: flowing solve module according to
NS equation calculation flow field convective flux, sticky flux simultaneously update pressure information of flow and temperature information of flow, adaptive mechanism inspection
Rope module is at each grid of description flow field spatial position according to the pressure information of flow and temperature information of flow of current grid
Corresponding adaptive reaction mechanism is called, chemical reaction module calculates according to corresponding adaptive reaction mechanism and chemically reacts and update
Pressure information of flow, temperature information of flow and reactive component information in flow field, adaptive mechanism generation module is from existingization
It learns and chooses detailed chemical kimetics mechanism and the Reduced mechanisms comprising backbone mechanism in reaction mechanism, according to wide scope reaction condition
Conversion zone is divided, then assesses Reduced mechanisms elementary reaction reaction rate to the influence degree of zero dimension ignition delay time, and
Using zero dimension ignition delay time as objective function, in each region iteration optimization mechanism parameter, mechanism memory module is according to four forks
The adaptive mechanism of updated optimization that tree-like formula saves.
It includes: convective flux computing unit that the flowing, which solves module, sticky flux computing unit, and information of flow updates
Unit, in which: convective flux computing unit is connected with information of flow updating unit, transmits convective flux information, sticky fluxmeter
It calculates unit to be connected with information of flow updating unit, transmits sticky flux information, information of flow updating unit is believed according to convective flux
Breath and sticky flux information update pressure information of flow and temperature information of flow.
The adaptive mechanism retrieval module is according to the one-dimensional self defined class number after the conversion of quad-tree structure reaction mechanism
Group is according to pressure, temperature iterative searching mechanism, until retrieving leaf node to the end, leaf node storage reaction mechanism ginseng
Number, which includes: adaptive reaction mechanism library reading unit, area reseach unit, pre-exponential factor computing unit, in which: from
It adapts to reaction mechanism library reading unit to be connected with area reseach unit, unit reading is generated by adaptive mechanism generation module
Adaptive mechanism library, and transporting mechanism library, to area reseach unit, area reseach unit is according to pressure information of flow and temperature flow
Field determines that corresponding reaction condition subregion, area reseach unit are connected with pre-exponential factor computing unit and transmit partition information, refer to
Prefactor computing unit calculates pre-exponential factor according to the parameter of place partitioned storage.
The chemical reaction module includes: mechanism parameter updating unit, reaction rate differential equation construction unit, differential
Equation solution unit, in which: mechanism parameter updating unit updates Arrhenius public affairs by the adaptive mechanism parameter retrieved
Formula parameter, mechanism parameter updating unit are connected with reaction rate differential equation construction unit and transmit Arrhenius formula ginseng
Number, reaction rate differential equation construction unit construct component production rate and the consumption rate differential equation by Arrhenius formula,
Reaction rate differential equation construction unit is connected with differential equation unit, and differential equation unit solves differential equation meter
Constituent mass score or molar fraction variation are calculated, and pressure information of flow, temperature information of flow are updated according to thermodynamic relation.
Adaptive mechanism generation module includes: ignition delay time response surface construction unit, wide reaction condition zoning unit,
Global Sensitivity analytical unit, iterative optimization unit, in which: ignition delay time response surface construction unit and wide reaction condition subregion
Unit is connected and transmits ignition delay time information, and wide reaction condition zoning unit is connected and transmits with Global Sensitivity analytical unit
Partition information, Global Sensitivity analytical unit are connected with iterative optimization unit and transmit elementary reaction sensitivity coefficient, iteration optimization list
Member is iterated optimization to elementary reaction parameter in each subregion.
As shown in Figure 2.The present embodiment is generated for supersonic combustion ignition problem, component and the constant hydrogen of elementary reaction
The adaptive reaction mechanism of oxygen.Choose detailed oxyhydrogen combustion mechanism KS mechanism (11 components, 24 reactions) and Reduced mechanisms ES mechanism
(7 components, 8 reactions), in H2/O2/N2Molar ratio be 2:1:3.76 under the conditions of, use above-mentioned adaptive mechanism generation method, structure
Build pressure 0.1-10atm, the adaptive reaction mechanism under the reaction condition of the region temperature 900-1800K wide, storage mode such as Fig. 3
It is shown.Define uf=Aexact/A0, characterize multiple of the maximum elementary reaction correction parameter of sensitivity coefficient relative to original parameter.
The ES mechanism refers to:
The KS mechanism refers to:
The present embodiment division result is as shown in figure 5, each subregion uf of the present embodiment is as shown in Figure 6.
ES mechanism differs biggish region with KS mechanism ignition delay time and needs to divide more grids in the present embodiment,
To meet required precision.Region division result matches with the uf distribution being finally calculated.
Embodiment 2
The present embodiment is directed to the recall precision of adaptive reaction mechanism, i.e., searches for corresponding reaction rate by temperature, pressure
Parameter.Implementation process includes: to generate 0.1-10atm at random using random number, and temperature T, pressure P within the scope of 900-1800K are followed
Ring 10,000,50,000,100,000,500,000,1,000,000, records total search time and average single search time.
The results are shown in Table 1 for the present embodiment.The retrieval of adaptive mechanism is as shown in figure 4, it changes according to temperature, pressure combination
Generation retrieval, finally searches subregion where the temperature, pressure.
The present embodiment demonstrates the high efficiency of adaptive mechanism retrieval.It is additional time-consuming main in being used in combination with CFD
For retrieval time, and single retrieval time is musec order in testing.ES mechanism ignition process list is calculated using CHEMKIN II
Secondary calculating time 1.26E-5s, single retrieval brings extra computation amount 21.19%, and KS mechanism single calculation time 3.98E-
5s, to demonstrate high efficiency of the adaptive mechanism in CFD calculating.
Embodiment 3
The present embodiment is directed to hydrogen-oxygen zero dimension ignition process, calculates H2/O2/N2 (molar ratio 2:1:3.76) in different temperatures pressure
Temperature changing process under by force, for comparing the computational accuracy of adaptive reaction mechanism.The present embodiment implementation process includes: setting
The temperature pressure of initial reaction is 2atm, 1000K and 2atm, and 950K uses KS mechanism respectively, ES mechanism, adaptively reacts machine
Reason calculates temperature changing process, and logging program runing time.
The variation of the present embodiment 2atm, 1000K condition corresponding temperature is as shown in fig. 7, the present embodiment 2atm, 950K condition is corresponding
Temperature change is as shown in figure 8, the present embodiment demonstrates adaptive reaction mechanism calculated result has relative to ES mechanism and obviously change
It is kind, ES mechanism calculated result amount grade difference.
Embodiment 4
The present embodiment is directed to hydrogen-oxygen zero dimension ignition process, calculates H2/O2/N2(molar ratio 2:1:3.76) in 0.1-10atm,
Each subregion ignition delay time under the reaction condition of the region 900-1800K wide is calculated for fully assessing adaptive reaction mechanism
Precision.Implementation process includes that, according to reaction condition division result, zoning center KS mechanism ignition delay time is relative to certainly
The magnitude difference of coping mechanism and ES mechanism resultWherein: idttKS mechanism ignition delay time is represented,
idtaRepresent adaptive mechanism ignition delay time, igtsRepresent ES mechanism ignition delay time.
The adaptive mechanism result quantities grade difference of the present embodiment as shown in figure 9, the present embodiment ES mechanism result quantities grade difference such as
Shown in Figure 10, by calculating the relative error and magnitude difference of the different mechanism ignition delay times compared with, it can prove to consider
The CFD calculated result accuracy of adaptive mechanism is better than the result using only ES mechanism.
Embodiment 5
The present embodiment is the engineer application for considering the CFD system of adaptive reaction mechanism, calculates the oblique explosive detonation problems of two dimension.Tiltedly
Explosive detonation problems often appear in the design of oblique detonation engine or ram accelerator.This physical process are as follows: flammable when premixing
When gas passes through an oblique shock wave system, pressure and temperature reaches from condition is lighted after wave, and chemical reaction starts to carry out at this time,
And then form stable combustion process.The problem is described as follows: zoning outer boundary is perpendicular or parallel to wedge surface.It is mixed
It closes gas to enter from upper left side, free stream Mach number 7.4.Temperature is 293K, pressure 40kPa, the mole ratio of mixed gas
For H2:O2:N2=2:1:3.76.The angle of attack of wedge is -25 °, and zoning size is 5.25cm long and 2cm high, and grid number is
210-80, flowing time step-length 1 × 10-8S, chemical time step-length 1 × 10-9s。
The present embodiment calculates total time comparison as shown in table 2, and in order to compare CFD simulated time efficiency, the time is packet in table
It includes flowing and solves time, chemical time, the total evaluation time for exporting the time, consider adaptive reaction mechanism for illustrating
CFD system effectiveness.The flowing time of simulation is 1.8 × 10-4S, totally 18000 flowing time step-lengths, output file 180, always
Calculating the time is the 180th output file and the 1st output file time difference, and average time is output single file mean time
Between.
Embodiment title | ES mechanism | Adaptive mechanism | KS mechanism |
It amounts to evaluation time (s) | 43632 | 44164 | 122893 |
Average time (s) | 243.8 | 246.7 | 686.6 |
The present embodiment is 5 × 10-5Ignition location comparison diagram when s is as shown in Figure 10.The figure is the mass fraction for generating water
Isogram, due to incoming flow from left to right, the initial position by generating water determines ignition location.
The present embodiment calculates the oblique explosive detonation problems of two dimension, considers the CFD system-computed of adaptive reaction mechanism as a result, i.e. point
Fiery position as a result, more approach KS mechanism as a result, improve the accuracy of numerical simulation result, considers simultaneously relative to ES mechanism
The CFD system of adaptive reaction mechanism, does not almost increase calculation amount.
In conclusion the present invention is to consider the CFD system of adaptive reaction mechanism, it can be ensured that do not increasing calculation amount substantially
In the case of, significantly improve calculated result.Wherein adaptive mechanism generation module determines the CFD system meter for considering adaptive mechanism
Calculate accuracy, it is ensured that calculated result and detailed mechanism result are almost the same, are better than Reduced mechanisms calculated result.Adaptive mechanism
Storage mode determines that the recall precision for calling adaptive mechanism, the present invention use quaternary tree data structure, ideally,
The n number of partitions retrieves subregion where one group of temperature, pressure combination, it is only necessary to 4log4N times judgement, does not increase calculation amount substantially.In reality
Apply example 2, single query range brings extra computation amount 21.19%, i.e. 2.67E-6s, but considerably less than KS mechanism single calculation when
Between 3.98E-5s.Simultaneously as the adaptive reaction mechanism generated, component, elementary reaction are constant, this CFD system is easy to push away
It is wide to use, this CFD system can be realized by the way that retrieval module is coupled to other CFD programs.
Above-mentioned specific implementation can by those skilled in the art under the premise of without departing substantially from the principle of the invention and objective with difference
Mode carry out local directed complete set to it, protection scope of the present invention is subject to claims and not by above-mentioned specific implementation institute
Limit, each implementation within its scope is by the constraint of the present invention.
Claims (14)
1. a kind of CFD system based on adaptive reaction mechanism characterized by comprising flowing solves module, adaptive mechanism
Retrieval module, chemical reaction module, adaptive mechanism generation module and adaptive mechanism memory module, in which: flowing solves mould
Root tuber is according to NS equation calculation flow field convective flux, sticky flux and updates pressure information of flow and temperature information of flow, adaptively
Mechanism retrieval module is at each grid of description flow field spatial position according to the pressure information of flow and temperature flow of current grid
Field information calls corresponding adaptive reaction mechanism, and chemical reaction module is calculated according to corresponding adaptive reaction mechanism and chemically reacted
And the pressure information of flow in flow field, temperature information of flow and reactive component information are updated, adaptive mechanism generation module is from
Detailed chemical kimetics mechanism and the Reduced mechanisms comprising backbone mechanism are chosen in some chemical reaction mechanisms, it is anti-according to wide scope
It answers condition to divide conversion zone, then assesses influence journey of the Reduced mechanisms elementary reaction reaction rate to zero dimension ignition delay time
Degree, and using zero dimension ignition delay time as objective function, in each region iteration optimization mechanism parameter, mechanism memory module according to
The constant adaptive mechanism of updated optimization of component that quaternary tree form saves, elementary reaction;
The NS equation refers to: governing equation is form are as follows:NS equation, in which: Q is
Conservation variable, E and F are convective flux, EvAnd FvFor sticky flux;
The component, elementary reaction is constant refers to: it is identical with the component of Reduced mechanisms, elementary reaction, and each different anti-
Region is answered to remain unchanged, but its rate parameter can be optimized according to detailed mechanism calculated result;
The detailed chemical kimetics mechanism refers to: comprising reactant chemical reaction in all intermediate products, elementary reaction machine
Reason;
The Reduced mechanisms refer to: using the reaction mechanism simplified, optimization method obtains, simplified and optimization side to detailed mechanism
Method includes local basis of sensitivity analysis method, Principal Component Analysis, direct relation figure method, path flux method, genetic algorithm.
2. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the flowing solves
Module includes: convective flux computing unit, sticky flux computing unit, information of flow updating unit, in which: convective flux calculates
Unit is connected with information of flow updating unit, transmits convective flux information, and sticky flux computing unit and information of flow update single
Member is connected, and transmits sticky flux information, and information of flow updating unit updates pressure according to convective flux information and sticky flux information
Power information of flow and temperature information of flow.
3. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the adaptive machine
Retrieval module is managed according to the one-dimensional self defined class array after the conversion of quad-tree structure reaction mechanism according to pressure, temperature iterative searching
Mechanism, until retrieving leaf node to the end, leaf node storage reaction mechanism parameter, which includes: adaptive reaction
Mechanism library reading unit, area reseach unit, pre-exponential factor computing unit, in which: adaptive reaction mechanism library reading unit with
Area reseach unit is connected, which reads the adaptive mechanism library generated by adaptive mechanism generation module, and transporting mechanism
Library to area reseach unit, area reseach unit determines corresponding reaction condition point according to pressure information of flow and temperature flow field
Area, area reseach unit are connected with pre-exponential factor computing unit and transmit partition information, and pre-exponential factor computing unit is according to place
The parameter of partitioned storage calculates pre-exponential factor.
4. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the chemical reaction
Module includes: mechanism parameter updating unit, reaction rate differential equation construction unit, differential equation unit, in which: mechanism
Parameter updating unit updates Arrhenius formula parameter, mechanism parameter updating unit by the adaptive mechanism parameter retrieved
It is connected with reaction rate differential equation construction unit and transmits Arrhenius formula parameter, the building of the reaction rate differential equation is single
Member constructs component production rate and the consumption rate differential equation by Arrhenius formula, reaction rate differential equation construction unit and
Differential equation unit is connected, and differential equation unit solves the differential equation and calculates constituent mass score or molar fraction change
Change, and pressure information of flow, temperature information of flow are updated according to thermodynamic relation.
5. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that adaptive mechanism generates
Module includes: ignition delay time response surface construction unit, wide reaction condition zoning unit, Global Sensitivity analytical unit, iteration
Optimize unit, in which: ignition delay time response surface construction unit, which is connected with wide reaction condition zoning unit and transmits igniting, to be prolonged
Slow temporal information, wide reaction condition zoning unit are connected with Global Sensitivity analytical unit and transmit partition information, Global Sensitivity point
Analysis unit is connected with iterative optimization unit and transmits elementary reaction sensitivity coefficient, and iterative optimization unit is anti-to primitive in each subregion
Parameter is answered to be iterated optimization.
6. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the division reaction
Region refers to: calculating the zero dimension ignition delay time of the detailed mechanism and Reduced mechanisms in wide scope reaction condition, passes through interpolation
Building point zero dimension ignition delay time response face, assesses the difference of detailed mechanism and Reduced mechanisms zero dimension ignition delay time, iteration
Divide conversion zone.
7. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the zero dimension igniting
Delay time refers to: using precursor reactants mechanism such as insulation, calculating the chemical reaction under the conditions of given temperature, pressure, equivalent proportion
Journey, derivation numerical value of the record temperature T to time tDefinitionFor the maximum value of derivative value in reaction process,
The corresponding time is known as ignition delay time.
8. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that described passes through interpolation
Building point zero dimension ignition delay time response face refers to: selection interpolation point first is 1 in equivalent proportion, temperature range 900-1800K,
Selection 19 × 19 totally 361 temperature, pressure combination in pressure range 0.1-10atm, wherein temperature is chosen at interval of 50K, and totally 19
A temperature samples, pressure are chosen in the section 0.1-1atm at interval of 0.1atm, select in the section 1atm-10atm at interval of 1atm
Take, totally 19 pressure samples, then calculate 361 temperature, pressure combination under ignition delay time, for it is any
Temperature, pressure combination in [900K, 1800K] × [0.1atm, 10atm], obtain the combination using two-dimentional cubic convolution interpolation
Corresponding ignition delay time.
9. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the assessment is detailed
Mechanism and the difference of Reduced mechanisms zero dimension ignition delay time refer to: first by the two of [900K, 1800K] × [0.1atm, 10atm]
Dimension space is evenly dividing as 2500 subintervals 50 ╳ 50 totally, i.e. temperature is evenly dividing as 50 equal parts, and it is 50 that pressure, which is evenly dividing,
Equal part calculates the customized relative error parameter Re of all subregion, and Re characterization is to the Reduced mechanisms after parameter optimization and in detail
The estimated value of mechanism ignition delay time relative error remembers that the ignition delay time of detailed mechanism is idt heret, Reduced mechanisms
Ignition delay time be idts, and under the conditions of equivalent proportion is 1, ignition delay time is only temperature T, pressure P function, is denoted as
idtt(p,t)、idts(p, t), if current sub-region is [Pa,Pb]×[Ta,Tb], regional center point (Pm,Tm), thenThe firing delay being only related to when subregion
Time is obtained by two-dimentional cubic convolution interpolation.
10. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the Loop partition
Conversion zone refers to: when estimation Re > 5% of detailed mechanism and Reduced mechanisms ignition event relative error, then by current sub-region
It is further evenly dividing as four sub-regions, and assessment is iterated to four sub-regions respectively, it is opposite until all areas
Estimation error Re < 5%.
11. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the assessment is
Refer to: using Global Sensitivity analysis method computational short cut mechanism ignition delay time for the sensitivity of each elementary reaction reaction rate
Coefficient;
The influence degree includes: Global Sensitivity coefficient and the sensitivity coefficient based on variance, in which: Global Sensitivity coefficient it is big
Percentage contribution of the small variation for characterizing each elementary reaction reaction rate for total ignition delay time variation;Based on variance
Sensitivity coefficient characterize due to input variation range for export population variance contribution.
12. the CFD system according to claim 11 based on adaptive reaction mechanism, characterized in that described with zero dimension
Ignition delay time refers to for objective function: detailed mechanism ignition delay time under each temperature T, pressure P subregion is calculated, it will be detailed
Objective function of the ignition delay time of thin mechanism as Reduced mechanisms parameter optimization reacts machine in supersonic combustion problem
Managing ignition delay time is important macroparameter, determines the ignition location in combustion chamber, therefore chooses ignition delay time and make
For objective function.
13. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that described in each area
Domain iteration optimization mechanism parameter refers to: to each temperature T, pressure P subregion, choosing Global Sensitivity coefficient STMaximum primitive is anti-
It answers, remembers that the elementary reaction is Rmax, provide the elementary reaction initial parameter value, start iteration optimization reaction mechanism parameter, allow optimization
Reduced mechanisms ignition delay time afterwards moves closer to detailed mechanism ignition delay time;
The elementary reaction parameter refers to: in Arrhenius formula,Parameter, in which: k be rate it is normal
Number, RuFor molar gas constant, T is thermodynamic temperature, and Ea is apparent activation energy, and A is pre-exponential factor or frequency factor;By
Three parametric functions of Arrhenius modification define, forward reaction rateβ is humidity index, inversely
Reaction rate kbIt can be solved by the equilibrium constant;
The initial value refers to: the maximum elementary reaction R of Global Sensitivity coefficient in Reduced mechanismsmaxAt the beginning of the optimization of pre-exponential factor
Initial value, if before not optimized, RmaxPre-exponential factor or frequency factor are A0, then R when optimizing beginningmaxPre-exponential factor is changed to A=
A0* rate, rate=idts(Pm,Tm)/idtt(Pm,Tm), rate is used for pre-exponential factor size after Estimation Optimization, accelerate optimization,
idts(Pm,Tm) be current region Reduced mechanisms ignition delay time, idtt(Pm,Tm) light a fire for the detailed mechanism of current region
Delay time;
The iteration optimization refers to: calculating the ignition delay time idt of the Reduced mechanisms of current regions(Pm,Tm), work as idts
(Pm,Tm)<idtt(Pm,Tm), then the maximum elementary reaction R of Global Sensitivity coefficientmaxPre-exponential factor A=D0*A(D0< 1, recommendation
0.9) reaction rate, this process n times of iteration, until idt, that is, are reduceds(Pm,Tm)>idtt(Pm,Tm);Otherwise Global Sensitivity coefficient
Maximum elementary reaction RmaxPre-exponential factor A=I0*A(I0> 1), that is, increase reaction rate, this process n times of iteration to idts(Pm,
Tm)<idtt(Pm,Tm), then in n-1 iteration An-1With n times iteration AnBetween there are optimized parameter Aexact, so that idts(Pm,Tm)
≈idtt(Pm,Tm), in An-1With AnBetween uniformly generate parameter A, make idts(Pm,Tm) and idtt(Pm,Tm) the smallest A of deviation is
For Aexact。
14. the CFD system according to claim 1 based on adaptive reaction mechanism, characterized in that the quaternary tree shape
Formula refers to: the data structure of conversion zone and its subregion is quaternary tree data structure, in order to be used in combination with CFD, need by
Text file is written in conversion zone and corresponding mechanism parameter, and retains data relation, thus according to quaternary tree data root,
Reaction mechanism is stored into chain type self-defining data structure by leaf level, and the corresponding root node of each chain type element records it
Child node position in the array, last leaf node record corresponding reaction mechanism parameter without child node.
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