CN109767815A - The method simplified based on the combustion reaction mechanisms under rate uncertainty - Google Patents
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Abstract
The present invention is the method simplified based on the combustion reaction mechanisms under rate uncertainty.PSR zero dimension homogeneous combustion device fuel combustion process is simulated according to detailed reaction mechanism model, the characteristic parameter of production concentration, temperature variations and ignition delay time under acquisition setting condition, using the component of GDRG method choice close coupling, pass through FAST method, based under rate condition of uncertainty, global sensitivity analysis is carried out to combustion reaction mechanisms, combustion reaction mechanisms velocity coefficient is optimized using least square method, so that Reduced mechanisms precisely predict that burning performance parameter, last optimizing application algorithm optimize model.The time needed for numerical value calculates is greatly reduced under the premise of guaranteeing that reaction mechanism is complete reliable in the present invention.
Description
Technical field
It is the burning under a kind of uncertainty based on rate the present invention relates to the computer modeling technique field of combustion process
The method that reaction mechanism simplifies.
Background technique
The burning of fuel provides power for most of equipment in production and life, and the burning of hydrocarbon fuel is shared wherein
Ratio is more than 60%.With the gradual depletion of fossil energy with the increasingly raising of environmental requirement, the burning effect of fuel how is improved
Rate and the pollution for reducing burning generation have become the task of top priority of combustion field.The burning of fuel is related to flowing, and conducts heat and changes
The coupling for learning more of reaction etc., is an extremely complex process.Computer technology rises to the simulation for solving fuel combustion
Possibility is provided, especially in terms of the design of burner, the control of the tissue and pollutant of combustion process, numerical value calculating is played the part of
The role drilled is more and more important.It is related to hundreds and thousands of intermediate products and elementary reaction in the combustion process of fuel, quantity is such
Huge process makes the convergence rate of entire calculating process extremely slow, or even the case where not restraining occurs.Therefore, it is calculating
In the case that precision is met the requirements, intermediate product and elementary reaction for certain contents lower than given threshold then be can be ignored not
Meter, so that the calculating process of reaction is simplified, the calculating time is substantially reduced.Therefore, the simplification of the combustion mechanism of hydrocarbon fuel
Important research direction as combustion field.
At this stage, the mechanism simplification method of burning mainly has two major classes: the first seed type is then the number for reducing elementary reaction
Amount carries out, such as SA and PCA method, and the second class method is then the component reduced in reaction Kinetics Model, such as DRG, PFA and
DRGEP etc..In the biggish situation of reaction Kinetics Model, two methods are generally used in conjunction with each other, i.e. the first stage first leads to
The method for crossing screen fraction simplifies model, and second stage is then by deleting the chemical reaction of redundancy with other means
Subtract, finally reaches the purpose of mechanism simplification.Here it is noted that either elementary reaction delete or intermediate product is deleted
Subtract, is required to follow certain reaction rule, the reaction mechanism of finally obtained simplification is also in accordance with reaction rule.
Although the method that above-mentioned combustion mechanism simplifies can substantially combustion reaction mechanism, numerical value is calculated and
Speech simplifies obtained result and still has two o'clock deficiency: first, Reduced mechanisms obtained by the above method are for special circumstances
Under, the applicability of combustion case especially within the engine is unsatisfactory, especially under the mechanism application conditions of big component,
Its effect is poor.Second it is that the method that above-mentioned reaction mechanism simplifies does not consider the uncertainty for reflecting velocity coefficient to mechanism
Influence, may cause unessential component and elementary reaction be reinforced, and important component and elementary reaction is weakened.This kind
Situation, which can seriously affect, characterizes important elementary reaction and main response path in fuel combustion process, and mechanism simplification
Amplitude is bigger, then the uncertainty of mechanism is higher
Summary of the invention
The present invention is to solve existing issue, provides what the combustion reaction mechanisms under a kind of uncertainty based on rate simplified
Method, the present invention provides following technical schemes:
A kind of combustion reaction mechanisms under the uncertainty based on rate simplify method, comprising the following steps:
Step 1: simulating PSR zero dimension homogeneous combustion device fuel combustion process according to detailed reaction mechanism model,
The characteristic parameter of production concentration, temperature variations and ignition delay time under acquisition setting condition；
Step 2: 1000 combustion mechanism models are simplified by GDRG method, to the detailed reaction mechanism model
In the combination of non-close coupling deleted；
Step 3: by FAST method, under rate condition of uncertainty, global sensibility is carried out to combustion reaction mechanisms
Analysis, according to the sensitivity coefficient of the obtained each elementary reaction of FAST method, set sensitivity coefficient threshold value to elementary reaction into
Row is deleted；
Step 4: combustion reaction mechanisms velocity coefficient is optimized using least square method, so that Reduced mechanisms are accurate
Predict burning performance parameter；
Step 5: by being compared with burning detailed reaction mechanism model, after mechanism obtained is carried out numerical value calculating
The ignition delay time that arrives to ignition delay time and burning detailed reaction mechanism compares, when error is in claimed range, then
It is not required to adjust, requires, then the sensitivity coefficient threshold value of setting is adjusted when error is greater than.
Preferably, the step 2 specifically:
Step 1: counting the probability of non-coupled component in the way of probability by GDRG method；
Step 2: 1000 sample points of uniform sampling in the parameter space of uncertain velocity coefficient；
Step 3: simplifying using DRG method to 1000 combustion mechanism models, to the non-coupled combination in model
It is deleted.
Preferably, the step 3 specifically:
Step 1: measuring the global sensibility system of each elementary reaction in a manner of disturbing elementary reaction by FAST method
Number,；
Step 2: setting sensitivity coefficient threshold value, threshold value elementary reaction below is deleted；
Step 3: obtaining the global sensitivity coefficient of elementary reaction by following formula:
Wherein, yiFor the parameter (such as concentration, temperature) of the i-th outlet；NsSegmentation to be sampled to curve is counted,
Middle sampled point presses s on curvek=2k π/Ns, k=1,2,3 ... NsIt is sampled；It is the Fourier of the i-th outlet parameter
Coefficient.
Preferably, sensitivity coefficient is represented using Fourier coefficient.
Preferably, the step 4 specifically:
Step 1: being optimized using method of least squares to objective function, so that the function f of velocity coefficientt(Ai,βi,Ei) become
In 0；
Step 2: being calculate by the following formula to obtain corresponding suitable velocity coefficient parameter Ai,βi,Ei:
Wherein, Ai, βi,EiFor the pre-exponential factor during combustion reaction, dimensionless group and reaction activity；Yk,DAnd TD
Respectively indicate the outgoing quality score obtained by detailed mechanism and temperature；WithIt respectively indicates and passes through
PSR equation calculation obtain in parameters and temperature such as the concentration in t=τ moment reaction device exit；
Step 3: establishing PSR equation by following formula:
Wherein, WkFor the molal weight (g/mol) of k-th of component, ωkFor the molar yield of k-th of component, ρ is density,
hk,iAnd hk,oRespectively indicate the enthalpy of low k component import and export, k=1,2...K.
Preferably, during combustion reaction mechanisms model simplification, sensitivity coefficient threshold size is according to simplified mould
The width of the type scope of application is adjusted.
The invention has the following advantages:
The present invention is based on simplifying under rate condition of uncertainty to the combustion mechanism of hydrocarbon fuel, tradition can be avoided
There is the phenomenon that inaccurately deleting component during simplification in method.By GDRG method to the component in detailed mechanism model
It is screened, obtains the component of close coupling, so that the component of non-close coupling can be deleted in wide scope threshold value, make mould
The simplification that type obtains.The sensitivity analysis of overall importance that disturbance indirectly obtains elementary reaction, and and GDRG are carried out by FAST method
Method combines, and can cut down the quantity of component in reaction to the greatest extent.Elementary reaction is deleted by FAST method
Later, so that the quantity of the elementary reaction in simplified model is reduced, model is further simplified.By least square method to filtering out
Elementary reaction in reflection velocity coefficient reasonably optimized so that the knot of the result of simplified model and detailed mechanism model
Error between fruit minimizes.The present invention can be adjusted during the simplification of mechanism model, be guaranteed to the greatest extent
The reliability and accuracy of model.When the parameter relevant to ignition quality that numerical simulation result is characterized is mainly firing delay
Between, production concentration distribution and variation in reactor etc..Sampled data in detailed mechanism model is that above-mentioned calculating process mentions
For foundation, in allowable range of error, also can sampled data be increased or be reduced, when providing more suitable firing delay
Between, product distribution with variation etc. typical combustions characteristic parameter.
Detailed description of the invention
Fig. 1 is the flow chart of the method simplified based on the combustion reaction mechanisms under rate uncertainty.
Fig. 2 is the schematic diagram that component is coupled by elementary reaction in reaction.
Fig. 3 is that the wide scope down-firing being calculated using the obtained methyl hydride combustion mechanism model of the present invention is postponed
The comparing result of time and document.
Fig. 4 is that the close limit down-firing being calculated using the obtained methyl hydride combustion mechanism model of the present invention is postponed
The comparing result of time and document.
Specific embodiment
Below in conjunction with specific embodiment, describe the invention in detail.
Specific embodiment one:
According to Fig. 1, the present invention provides the method that the combustion reaction mechanisms under a kind of uncertainty based on rate simplify,
The following steps are included:
Step 1: simulating PSR zero dimension homogeneous combustion device fuel combustion process according to detailed reaction mechanism model,
The characteristic parameter of production concentration, temperature variations and ignition delay time under acquisition setting condition；
Step 2: 1000 combustion mechanism models are simplified by GDRG method, to the detailed reaction mechanism model
In the combination of non-close coupling deleted；
Step 3: by FAST method, under rate condition of uncertainty, global sensibility is carried out to combustion reaction mechanisms
Analysis, according to the sensitivity coefficient of the obtained each elementary reaction of FAST method, set sensitivity coefficient threshold value to elementary reaction into
Row is deleted；
Step 4: combustion reaction mechanisms velocity coefficient is optimized using least square method, so that Reduced mechanisms are accurate
Predict burning performance parameter；
Step 5: by being compared with burning detailed reaction mechanism model, after mechanism obtained is carried out numerical value calculating
The ignition delay time that arrives to ignition delay time and burning detailed reaction mechanism compares, when error is in claimed range, then
It is not required to adjust, requires, then the sensitivity coefficient threshold value of setting is adjusted when error is greater than.
Specific embodiment two:
The present embodiment is the GRI3.0 combustion mechanism for not considering NO_x formation, which includes 35 components and 217
A reaction.It under certain condition, can the Accurate Prediction spark delay time using the simplification reaction mechanism that DRG method obtains.
The document A criterion based on for being Lu et al. is compared with calculated result of the invention
computational singular perturbation for the identification of quasi steady
The meter of state species:A reduced mechanism for methane oxidation with NO chemistry
Calculate result.
Step 1, detailed mechanism the model calculation: the calculating primary condition of consideration are as follows: pressure P=1~30atm, equivalent
Than Phi=0.5~1.5, temperature range is T=1000~1600K.Multiple temperature spots during this are calculated, point is obtained
The typical combustions characteristic parameter such as ignition delay time.
Step 2 passes through GDRG (global DRG) method, and the probability of non-coupled component is counted in the way of probability, grasps
It is as follows to make process: 1000 sample points of uniform sampling first in the parameter space of uncertain velocity coefficient；Then DRG is applied
Method simplifies 1000 combustion mechanism models, to obtain the probability that each component is non-close coupling component.Herein it
Preceding to need to set a threshold value between 0 and 1, the component for being greater than the threshold value retains, for being less than the threshold value
Component further delete.According to the non-close coupling probability under condition of uncertainty, which is less than to the coupling probability in model
The component of value is deleted.Methane and oxygen are critical reactants in the present embodiment.
Step 3, component global sensitivity analysis: by FAST Fourier's overall situation susceptibility process, to disturb elementary reaction
Mode measure the global sensitivity coefficient of each elementary reaction, according to the sensitivity coefficient threshold value of setting, below the threshold value
Elementary reaction deleted.The global sensitivity coefficient of elementary reaction is obtained in the present invention by following formula:
In above formula, yiFor the parameter (such as concentration, temperature) of the i-th outlet；NsSegmentation to be sampled to curve is counted,
Wherein sampled point presses s on curvek=2k π/Ns, k=1,2,3 ... NsIt is sampled；Be the i-th outlet parameter Fu in
Leaf system number.In the present invention, sensitivity coefficient is represented using Fourier coefficient.
Finally on the basis of above-mentioned documents, mechanism model is further simplified, the group further deleted
Divide as shown in the table.
Step 4, mechanism optimization: ignition delay time etc. is joined to what is chosen by step 3 using least square method
There is number the elementary reaction of great influence to optimize, so that the analog result of Reduced mechanisms is forced to the analog result of detailed mechanism
Closely.Following objective function is optimized using least square method in the present invention so that velocity coefficient function ft (Ai, β i,
Ei tend to 0) to find most suitable velocity coefficient parameter Ai, β i, Ei.
In above formula, Ai, βi,EiFor the pre-exponential factor during combustion reaction, dimensionless group and reaction activity；Yk,DWith
TDRespectively indicate the outgoing quality score obtained by detailed mechanism and temperature；WithIt respectively indicates and passes through
PSR equation calculation obtain in parameters and temperature such as the concentration in t=τ moment reaction device exit.
Step 5 is adjusted by different threshold values, obtains the simplification machine of different component quantity Yu elementary reaction quantity
Model is managed,
PSR equation are as follows:
In above formula, WkFor the molal weight (g/mol) of k-th of component, ωkFor the molar yield of k-th of component, ρ is close
Degree, hk,iAnd hk,oRespectively indicate the enthalpy of low k component import and export.
Process is deleted by above-mentioned, so that have 19 components in the model simplified, 99 reactions, by selection, for it
In 33 elementary reactions optimize.
Methyl hydride combustion is calculated using above-mentioned model, calculated result and bibliography are compared, result such as Fig. 3
It is shown, under wide scope the ignition delay time of (P=1~30atm, Phi=0.5~1.5, T=1000~1600K) and in detail
The result worst error of mechanism model is 4%, thus under the conditions of the present embodiment, the calculated result of the reaction model of methyl hydride combustion
Precision with higher.
Specific embodiment three:
Compared with calculated result of the invention be GRI3.0 combustion mechanism calculated result, this example is for methane
Combustion model under specific operation is simplified.
In the present embodiment, primary condition is calculated are as follows: pressure P=1atm, equivalent proportion Phi=1, temperature range T=1000
~1600K.Multiple temperature spots during this are calculated, the typical combustions characteristic parameters such as ignition delay time are obtained.
Similar, former mechanism model carries out further component according to step 2 in above-mentioned specific embodiment two to step 3
It deletes, final to delete wherein 6 components, last mechanism model is 16 components, and result is as shown in the table.
It repeats step 4 in above-mentioned specific embodiment two and arrives step 5, so that there is 16 components in the model simplified, 58 anti-
It answers, by selection, is optimized for 33 reactions therein.Methyl hydride combustion is calculated using above-mentioned model, will be calculated
As a result compare with bibliography, result as shown in figure 4, under close limit (P=1atm, Phi=1, T=1000~
The result of ignition delay time and detailed mechanism model 1600K) is very close, and precision is higher.The thus mechanism in close limit
The simplification of model can more have specific aim, and computational accuracy is also higher.
The above is only the preferred embodiment of the method simplified based on the combustion reaction mechanisms under rate uncertainty,
Protection scope based on the simplified method of the combustion reaction mechanisms under rate uncertainty is not limited merely to above-described embodiment, all
The technical solution belonged under thinking all belongs to the scope of protection of the present invention.It should be pointed out that for those skilled in the art
For, several improvements and changes without departing from the principles of the present invention, such modifications and variations also should be regarded as of the invention
Protection scope.
Claims (6)
1. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate simplify, it is characterized in that: the following steps are included:
Step 1: simulating PSR zero dimension homogeneous combustion device fuel combustion process according to detailed reaction mechanism model, obtains
The characteristic parameter of production concentration, temperature variations and ignition delay time under imposing a condition；
Step 2: 1000 combustion mechanism models are simplified by GDRG method, in the detailed reaction mechanism model
The combination of non-close coupling is deleted；
Step 3: by FAST method, under rate condition of uncertainty, global sensibility point is carried out to combustion reaction mechanisms
Analysis sets sensitivity coefficient threshold value and carries out to elementary reaction according to the sensitivity coefficient of the obtained each elementary reaction of FAST method
It deletes；
Step 4: combustion reaction mechanisms velocity coefficient is optimized using least square method, so that Reduced mechanisms are precisely predicted
Burning performance parameter；
Step 5: by with burning detailed reaction mechanism model comparison, will mechanism obtained carry out numerical value calculating after arrive point
The ignition delay time that arrives of ignition delay time and burning detailed reaction mechanism compares, and when error is in claimed range, is then not required to
Adjustment is required when error is greater than, is then adjusted to the sensitivity coefficient threshold value of setting.
2. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate according to claim 1 simplify, special
Sign is: the step 2 specifically:
Step 1: counting the probability of non-coupled component in the way of probability by GDRG method；
Step 2: 1000 sample points of uniform sampling in the parameter space of uncertain velocity coefficient；
Step 3: simplifying using DRG method to 1000 combustion mechanism models, the non-coupled combination in model is carried out
It deletes.
3. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate according to claim 1 simplify, special
Sign is: the step 3 specifically:
Step 1: the global sensitivity coefficient of each elementary reaction is measured in a manner of disturbing elementary reaction by FAST method,；
Step 2: setting sensitivity coefficient threshold value, threshold value elementary reaction below is deleted；
Step 3: obtaining the global sensitivity coefficient of elementary reaction by following formula:
Wherein, yiFor the parameter (such as concentration, temperature) of the i-th outlet；NsSegmentation to be sampled to curve is counted, wherein adopting
Sampling point presses s on curvek=2k π/Ns, k=1,2,3 ... NsIt is sampled；It is the Fourier system of the i-th outlet parameter
Number.
4. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate according to claim 3 simplify, special
Sign is: representing sensitivity coefficient using Fourier coefficient.
5. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate according to claim 1 simplify, special
Sign is: the step 4 specifically:
Step 1: being optimized using method of least squares to objective function, so that the function f of velocity coefficientt(Ai,βi,Ei) tend to 0；
Step 2: being calculate by the following formula to obtain corresponding suitable velocity coefficient parameter Ai,βi,Ei:
Wherein, Ai, βi,EiFor the pre-exponential factor during combustion reaction, dimensionless group and reaction activity；Yk,DAnd TDRespectively
Indicate the outgoing quality score obtained by detailed mechanism and temperature；WithIt respectively indicates through the side PSR
Journey be calculated in parameters and temperature such as the concentration in t=τ moment reaction device exit；
Step 3: establishing PSR equation by following formula:
Wherein, WkFor the molal weight (g/mol) of k-th of component, ωkFor the molar yield of k-th of component, ρ is density, hk,iWith
hk,oRespectively indicate the enthalpy of low k component import and export, k=1,2...K.
6. the method that the combustion reaction mechanisms under a kind of uncertainty based on rate according to claim 1 simplify, special
Sign is: during combustion reaction mechanisms model simplification, sensitivity coefficient threshold size is according to the simplified model scope of application
Width be adjusted.
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| CN114613443A (en) * | 2022-03-10 | 2022-06-10 | 哈尔滨工业大学（深圳） | Method and device for constructing combustion mechanism model of ammonia-containing fuel |
| CN115248978A (en) * | 2022-07-01 | 2022-10-28 | 北京理工大学 | Method for simplifying combustion dynamics mechanism of long-chain normal alcohol fuel |
| CN115292883A (en) * | 2022-06-26 | 2022-11-04 | 哈尔滨工程大学 | Combustion chamber performance online monitoring and predicting method and system based on chemical reactor network method |
| CN116798531A (en) * | 2023-06-29 | 2023-09-22 | 西南科技大学 | Fusion algorithm-based hydrocarbon fuel mechanism simplification method for supersonic combustion chamber |
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| CN115292883A (en) * | 2022-06-26 | 2022-11-04 | 哈尔滨工程大学 | Combustion chamber performance online monitoring and predicting method and system based on chemical reactor network method |
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| CN116798531A (en) * | 2023-06-29 | 2023-09-22 | 西南科技大学 | Fusion algorithm-based hydrocarbon fuel mechanism simplification method for supersonic combustion chamber |
| CN116798531B (en) * | 2023-06-29 | 2024-03-22 | 西南科技大学 | Fusion algorithm-based hydrocarbon fuel mechanism simplification method for supersonic combustion chamber |
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