CN114613443B - Construction method and device of ammonia-containing fuel combustion mechanism model - Google Patents
Construction method and device of ammonia-containing fuel combustion mechanism model Download PDFInfo
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Abstract
The invention discloses a construction method and a construction device for an ammonia-containing fuel combustion mechanism model, wherein the method comprises the following steps: selecting a basic element reaction which is missing from a basic combustion mechanism model from basic element reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the basic element reaction into the basic combustion mechanism model; selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on combustion characteristics; selecting ammonia/methane sensitive primitive reaction, and adjusting corresponding reaction parameters; selecting a supplemental primitive according to the influence of each primitive reaction in the basic combustion mechanism model on combustion characteristics and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplemental primitive into the basic combustion mechanism model. By adopting the embodiment of the invention, the laminar flow combustion speed of ammonia, ammonia/hydrogen and ammonia/methane flame can be accurately simulated at the same time.
Description
Technical Field
The invention relates to the technical field of combustion simulation, in particular to a method and a device for constructing an ammonia-containing fuel combustion mechanism model.
Background
Combustion dynamics is the subject of molecular level research on specific combustion processes of fuels and influencing factors thereof, and reduction of pollution of combustion to the environment and ensuring of efficient utilization of fuels are the research contents. The combustion supporting of hydrogen and methane is an effective method for improving the combustion efficiency of ammonia fuel, the kinetic simulation of the combustion mechanism of the ammonia fuel can explore the influence rules of the variables such as the equivalent ratio of the mixed gas, the ratio of the components and the like on the laminar combustion speed, the ignition delay time and the NO emission of the ammonia fuel, and the simulation prediction of the combustion characteristics of the ammonia fuel can provide design basis for the design of an actual combustor.
However, due to certain difference between different combustions, the existing mechanism model cannot accurately predict laminar combustion speeds and ignition delay times of various ammonia-containing fuels in a face-to-face manner, and the prediction error of the mechanism model is not beneficial to engineering development, such as the development of an actual combustor.
Disclosure of Invention
The embodiment of the invention provides a construction method and a construction device for an ammonia-containing fuel combustion mechanism model, which enable the basic combustion mechanism model to accurately simulate laminar combustion speeds of ammonia, ammonia/hydrogen and ammonia/methane flames simultaneously by adjusting parameters of sensitive elements in the basic combustion mechanism model and adding ammonia/methane sensitive elements.
To achieve the above object, a first aspect of embodiments of the present application provides a method for constructing an ammonia-containing fuel combustion mechanism model, the method including:
selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models as a basic combustion mechanism model according to the effective fuel components;
selecting a missing primitive reaction of the basic combustion mechanism model from basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction into the basic combustion mechanism model; the basic elementary reactions are the elementary reactions necessary to simulate the ammonia/hydrogen co-combustion situation;
selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time;
according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time, selecting ammonia/methane sensitive elementary reaction, and adjusting reaction parameters of the ammonia/methane sensitive elementary reaction;
and selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
In a possible implementation manner of the first aspect, the selecting the ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on the laminar combustion speed and the ignition delay time specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
In a possible implementation manner of the first aspect, the selecting an ammonia/methane sensitive elementary reaction according to the influence of each elementary reaction in the basic combustion mechanism model on the laminar combustion speed and the ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reaction specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
In a possible implementation manner of the first aspect, the selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive to the basic combustion mechanism model specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
In a possible implementation manner of the first aspect, the reaction parameters include, in particular, a pre-finger factor, a temperature index and an activation energy of the elementary reactions.
A second aspect of the embodiments of the present application provides a device for constructing an ammonia-containing fuel combustion mechanism model, including:
the fitting module is used for selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models according to the effective fuel components as a basic combustion mechanism model;
a first adding module for selecting a missing primitive reaction of the basic combustion mechanism model from among basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction to the basic combustion mechanism model; the basic elementary reactions are the elementary reactions necessary to simulate the ammonia/hydrogen co-combustion situation;
the ammonia/hydrogen sensitive primitive module is used for selecting ammonia/hydrogen sensitive primitive reactions according to the influence of each primitive reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
the ammonia/methane sensitive elementary module is used for selecting ammonia/methane sensitive elementary reactions according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions;
and the second adding module is used for selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on the laminar combustion speed and the ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
In a possible implementation manner of the second aspect, the selecting the ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on the laminar combustion speed and the ignition delay time specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
In a possible implementation manner of the second aspect, the selecting an ammonia/methane sensitive elementary reaction according to the influence of each elementary reaction in the basic combustion mechanism model on the laminar combustion speed and the ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reaction specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
In a possible implementation manner of the second aspect, the selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive to the basic combustion mechanism model specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
In a possible implementation manner of the second aspect, the reaction parameters include, in particular, a pre-finger factor, a temperature index and activation energy of the elementary reactions.
Compared with the prior art, the method and the device for constructing the ammonia-containing fuel combustion mechanism model provided by the embodiment of the invention have the advantages that after the effective fuel composition of the target to be simulated is confirmed, the ammonia-ammonia/methane premixed combustion mechanism model with the fitting degree larger than the threshold value is selected as the basic combustion mechanism model, and the elementary reaction with high sensitivity is selected from the basic combustion mechanism model for parameter adjustment according to the influence on the two combustion characteristics of the laminar combustion speed and the ignition delay time, so that the simulation of the laminar combustion speed and the ignition delay time by the basic combustion mechanism model is more consistent with the actual measurement result; meanwhile, reaction primitives with high sensitivity are selected from other ammonia/hydrogen combustion mechanism models according to preset conditions and are used as complementary primitives to be supplemented into the basic combustion mechanism model, so that the basic combustion mechanism model supports simulation of the ammonia/hydrogen combustion condition, and the introduced complementary primitives are subjected to sensitivity screening and cannot influence the structural stability of the original basic combustion mechanism model. The improved original basic combustion mechanism model is simultaneously used for simulating the laminar combustion speed of ammonia, ammonia/hydrogen and ammonia/methane flame, and particularly greatly improves the simulation result of the laminar combustion speed of ammonia/hydrogen.
Drawings
FIG. 1 is a schematic flow chart of a method for constructing an ammonia-containing fuel combustion mechanism model according to an embodiment of the present invention;
FIG. 2 is a graph of predicted results of combustion of ammonia fuel using a basic combustion mechanism model in accordance with an embodiment of the present invention;
FIG. 3 is a graph of predicted results of combustion of ammonia/hydrogen fuel using a basic combustion mechanism model in accordance with an embodiment of the present invention;
FIG. 4 is a graph of predicted results of combustion of ammonia/methane fuel using a basic combustion mechanism model in an embodiment of the invention.
Detailed Description
The following description of the embodiments of the present invention will be made clearly and completely with reference to the accompanying drawings, in which it is apparent that the embodiments described are only some embodiments of the present invention, but not all embodiments. All other embodiments, which can be made by those skilled in the art based on the embodiments of the invention without making any inventive effort, are intended to be within the scope of the invention.
Referring to fig. 1, an embodiment of the present invention provides a method for constructing an ammonia-containing fuel combustion mechanism model, the method comprising:
s10, selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models as a basic combustion mechanism model according to the effective fuel components.
S11, selecting a missing primitive reaction of the basic combustion mechanism model from basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction into the basic combustion mechanism model; the basic elementary reactions refer to the elementary reactions necessary to simulate an ammonia/hydrogen co-combustion situation.
S12, selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time.
S13, selecting ammonia/methane sensitive elementary reaction according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting reaction parameters of the ammonia/methane sensitive elementary reaction.
S14, selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
According to the embodiment of the invention, the sensitivity analysis is carried out on the ammonia-containing fuel combustion mechanism, so that the accuracy of the simulation result of the basic combustion mechanism model on the laminar combustion speed and the ignition delay time of the ammonia-containing fuel is improved, and finally, an improved basic combustion mechanism model with smaller prediction error and suitable for three typical ammonia-containing fuels (ammonia, ammonia/methane and ammonia/hydrogen) is obtained.
The reason that the basic combustion mechanism model in the embodiment of the invention can carry out combustion prediction on the ammonia fuel and the ammonia/hydrogen mixed fuel except the ammonia/methane mixed fuel is that three types of optimization are carried out on the basic combustion mechanism model: s11, adding the elementary reactions necessary for simulating the ammonia/hydrogen mixed combustion condition to a basic combustion mechanism model under the condition of not causing rejection, and optimizing the basic combustion mechanism model by adding elementary components of the model; in S13, parameter adjustment is carried out on ammonia/methane sensitive primitive reaction in the basic combustion mechanism model, and secondary optimization is carried out on the basic combustion mechanism model by adjusting primitive components of the model; in S14, the ammonia/hydrogen sensitive element that does not cause rejection is added to the basic combustion mechanism model, and the basic combustion mechanism model is optimized three times by adding the element components of the model.
Illustratively, S12 specifically includes:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
Illustratively, S13 specifically includes:
and obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on the laminar flow combustion speed and the ignition delay time.
And selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
Illustratively, S13 specifically includes:
and obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on the laminar flow combustion speed and the ignition delay time.
And selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
Illustratively, the reaction parameters include, in particular, a pre-finger factor, a temperature index, and an activation energy of the primitive reaction.
In practical application, it is common to introduce an optimized GRI3.0 mechanism model, corresponding thermodynamic parameters and transport parameter files into ANSYS Chemkin Pro software, change the combustion conditions such as fuel types, proportions and equivalence ratios of the ammonia-containing fuel, and simulate the combustion conditions by the software so as to obtain the information such as laminar flow combustion speed, ignition delay time and NO concentration of the ammonia-containing fuel under the conditions. The following description will take a GRI3.0 mechanism model as an example of a basic combustion mechanism model.
(1) The model with the best fitting degree is selected from the ammonia and ammonia/methane premixed combustion mechanism models to serve as a basic combustion mechanism model (GRI 3.0 mechanism model is selected in the embodiment of the invention), the GRI3.0 mechanism is compared with a mechanism with better effect of simulating the laminar combustion speed of ammonia/hydrogen flame (Mei, song, glarborg mechanism is selected in the invention), and primitive reactions which have important influences in the ammonia/hydrogen combustion mechanisms but are absent in the GRI3.0 mechanism are added into the GRI3.0 mechanism.
Referring to table 1, by comparison, taking the GRI3.0 mechanism as a framework, 32 primitive reactions including nh2+no < = > nnh+oh and nh2+nh < = > n2h2+h are newly added on the basis, and the mechanism model after optimization is named as the hitsz_sl mechanism.
(2) The 10 primitive reactions with the highest sensitivity in the GRI3.0 mechanism are found, and the reaction parameters are adjusted according to the promotion or inhibition effect of the reaction to the laminar flow combustion speed.
The ammonia/hydrogen flame under the conditions of different equivalent ratios and different hydrogen contents are subjected to sensitivity analysis, the elementary reactions NH2+O < = > H+HNO and H+HNO < = > H2+NO are determined to be required to be optimized according to the sensitivity analysis result, and the pre-finger factors corresponding to the reactions are respectively corrected to be 4.46E+11 and 4.5E+13 by referring to a NIST functional network chemical reaction database.
(3) The remaining elementary reactions in the GRI3.0 mechanism are found, but the reactions with larger influence in other ammonia/hydrogen combustion mechanisms are carried out, and the reaction parameters of the elementary reactions are adjusted to meet the requirement of simulating the laminar flame combustion speed.
The reaction rate constant k of the primitive reaction can be calculated by a modified Arrhenius (Arrhenius) equation, and the specific form of the equation is as follows:
By correcting the reactions with lower sensitivity in the GRI3.0 mechanism and higher sensitivity in other ammonia/hydrogen combustion mechanisms, the elementary reaction NH2+O < = > OH+NH can be found to be one of the satisfactory choices through comparison.
After the steps, 32 primitive reactions are added to the optimized mechanism, and three reaction parameters of 7 primitive reactions in the original mechanism are modified, so that the simulation result of the HITSZ_SL mechanism obtained after modification is more similar to the result measured in practice. The modified primitive reactions after optimization and their reaction parameters are shown below:
TABLE 1 primitive reaction List in optimized base Combustion mechanism model
The following adopts the ammonia-containing fuel combustion mechanism model provided by the embodiment of the invention to predict the combustion results of different fuels, and the prediction results are as follows:
(1) Simulation results of ammonia fuel
The simulated graph of the optimized GRI3.0 mechanism model on the laminar combustion speed of the ammonia fuel combustion is shown in figure 2. Wherein the curve 20 is the predicted result of the mechanism before the optimization on the combustion, the curve 21 is the predicted result of the mechanism after the optimization on the combustion, and the square dot-shaped curve 22 is the actual value curve measured by the experiment.
(2) Simulation results for ammonia/Hydrogen fuels
The simulated graph of the optimized GRI3.0 mechanism model on the laminar combustion speed of the ammonia/hydrogen fuel combustion is shown in figure 3. Wherein the curve 30 and the curve 33 are predicted results of the mechanism before the optimization on the combustion, the curve 31 and the curve 34 are predicted results of the mechanism after the optimization on the combustion, and the dotted curve 32 and the dotted curve 35 are actual value curves measured experimentally.
(3) Simulation results of ammonia/methane fuel
The simulated graph of the optimized GRI3.0 mechanism model on the laminar combustion speed of the ammonia/methane fuel combustion is shown in fig. 4. Wherein curve 40 is the predicted result of the mechanism to combustion before optimization, curve 41 is the predicted result of the mechanism to combustion after optimization, and dotted curve 42 is the experimentally measured actual value curve.
Therefore, the mechanism model can be used for simulating the laminar flow combustion speed of ammonia, ammonia/hydrogen and ammonia/methane flame at the same time, especially has greatly improved simulation results of the laminar flow combustion speed of ammonia/hydrogen, and the simulation results of the ammonia/hydrogen and ammonia/methane fuel are within 10% of experimental average values.
A second aspect of the embodiments of the present application provides a device for constructing an ammonia-containing fuel combustion mechanism model, including: the device comprises a fitting module, a first adding module, an ammonia/hydrogen sensitive primitive module, an ammonia/methane sensitive primitive module and a second adding module.
And the fitting module is used for selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models according to the effective fuel components as a basic combustion mechanism model.
A first adding module for selecting a missing primitive reaction of the basic combustion mechanism model from among basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction to the basic combustion mechanism model; the basic elementary reactions refer to the elementary reactions necessary to simulate an ammonia/hydrogen co-combustion situation.
And the ammonia/hydrogen sensitive elementary module is used for selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time.
And the ammonia/methane sensitive elementary module is used for selecting ammonia/methane sensitive elementary reactions according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions.
And the second adding module is used for selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on the laminar combustion speed and the ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
Illustratively, the selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time specifically comprises the following steps:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
Illustratively, the method for selecting ammonia/methane sensitive elementary reactions according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions specifically comprises the following steps:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
Illustratively, the selecting a supplemental primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplemental primitive to the basic combustion mechanism model specifically comprises:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
Illustratively, the reaction parameters include, in particular, a pre-finger factor, a temperature index, and an activation energy of the primitive reaction.
It will be clear to those skilled in the art that for convenience and brevity of description, reference may be made to the corresponding procedure in the foregoing method embodiments for the specific working procedure of the apparatus described above, which will not be further described herein.
Compared with the prior art, the method and the device for constructing the ammonia-containing fuel combustion mechanism model provided by the embodiment of the invention have the advantages that after the effective fuel composition of the target to be simulated is confirmed, the ammonia-ammonia/methane premixed combustion mechanism model with the fitting degree larger than the threshold value is selected as the basic combustion mechanism model, and the elementary reaction with high sensitivity is selected from the basic combustion mechanism model for parameter adjustment according to the influence on the two combustion characteristics of the laminar combustion speed and the ignition delay time, so that the simulation of the laminar combustion speed and the ignition delay time by the basic combustion mechanism model is more consistent with the actual measurement result; meanwhile, reaction primitives with high sensitivity are selected from other ammonia/hydrogen combustion mechanism models according to preset conditions and are used as complementary primitives to be supplemented into the basic combustion mechanism model, so that the basic combustion mechanism model supports simulation of the ammonia/hydrogen combustion condition, and the introduced complementary primitives are subjected to sensitivity screening and cannot influence the structural stability of the original basic combustion mechanism model. The improved original basic combustion mechanism model is simultaneously used for simulating the laminar combustion speed of ammonia, ammonia/hydrogen and ammonia/methane flame, and particularly greatly improves the simulation result of the laminar combustion speed of ammonia/hydrogen.
While the foregoing is directed to the preferred embodiments of the present invention, it will be appreciated by those skilled in the art that changes and modifications may be made without departing from the principles of the invention, such changes and modifications are also intended to be within the scope of the invention.
Claims (10)
1. The method for constructing the ammonia-containing fuel combustion mechanism model is characterized by comprising the following steps of:
selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models as a basic combustion mechanism model according to the effective fuel components;
selecting a missing primitive reaction of the basic combustion mechanism model from basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction into the basic combustion mechanism model; the basic elementary reactions are the elementary reactions necessary to simulate the ammonia/hydrogen co-combustion situation;
selecting ammonia/hydrogen sensitive elementary reactions according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time;
according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time, selecting ammonia/methane sensitive elementary reaction, and adjusting reaction parameters of the ammonia/methane sensitive elementary reaction;
and selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
2. The method for constructing an ammonia-containing fuel combustion mechanism model according to claim 1, wherein the selecting ammonia/hydrogen sensitive elementary reactions based on the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time specifically comprises:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
3. The method for constructing an ammonia-containing fuel combustion mechanism model according to claim 1, wherein the steps of selecting ammonia/methane-sensitive elementary reactions according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting reaction parameters of the ammonia/methane-sensitive elementary reactions comprise:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
4. The method for constructing an ammonia-containing fuel combustion mechanism model according to claim 1, wherein said selecting a supplemental primitive based on the influence of each primitive reaction in said basic combustion mechanism model on laminar combustion speed and ignition delay time, the composition of said ammonia/hydrogen sensitive primitive reactions, and adding said supplemental primitive to said basic combustion mechanism model, specifically comprises:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
5. The method for constructing an ammonia-containing fuel combustion mechanism model as claimed in claim 1, wherein the reaction parameters include, in particular, a pre-finger factor, a temperature index and an activation energy of the elementary reactions.
6. A device for constructing an ammonia-containing fuel combustion mechanism model, comprising:
the fitting module is used for selecting a combustion mechanism model with a fitting value larger than a fitting threshold value from the ammonia and ammonia/methane premixed combustion mechanism models as a basic combustion mechanism model according to the effective fuel components;
a first adding module for selecting a missing primitive reaction of the basic combustion mechanism model from among basic primitive reactions of an ammonia/hydrogen premixed combustion mechanism model, and adding the missing primitive reaction to the basic combustion mechanism model; the basic elementary reactions are the elementary reactions necessary to simulate the ammonia/hydrogen co-combustion situation;
the ammonia/hydrogen sensitive primitive module is used for selecting ammonia/hydrogen sensitive primitive reactions according to the influence of each primitive reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
the ammonia/methane sensitive elementary module is used for selecting ammonia/methane sensitive elementary reactions according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions;
and the second adding module is used for selecting a supplementary primitive according to the influence of each primitive reaction in the basic combustion mechanism model on the laminar combustion speed and the ignition delay time and the composition of the ammonia/hydrogen sensitive primitive reaction, and adding the supplementary primitive into the basic combustion mechanism model.
7. The apparatus for constructing an ammonia-containing fuel combustion mechanism model according to claim 6, wherein the selecting ammonia/hydrogen sensitive elementary reactions based on the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar combustion speed and ignition delay time specifically comprises:
obtaining the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model according to the influence of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/hydrogen sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the ammonia/hydrogen premixed combustion mechanism model.
8. The apparatus for constructing an ammonia-containing fuel combustion mechanism model according to claim 6, wherein the steps of selecting an ammonia/methane-sensitive elementary reaction according to the influence of each elementary reaction in the basic combustion mechanism model on laminar combustion speed and ignition delay time, and adjusting reaction parameters of the ammonia/methane-sensitive elementary reaction comprise:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting elementary reactions with the sensitivity coefficient larger than a preset threshold value as ammonia/methane sensitive elementary reactions according to the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model, and adjusting the reaction parameters of the ammonia/methane sensitive elementary reactions in combination with the influence on the laminar combustion speed.
9. The construction apparatus for an ammonia-containing fuel combustion mechanism model according to claim 6, wherein said selecting a supplemental primitive based on the influence of each primitive reaction in said basic combustion mechanism model on laminar combustion speed and ignition delay time, the composition of said ammonia/hydrogen-sensitive primitive reactions, and adding said supplemental primitive to said basic combustion mechanism model, specifically comprises:
obtaining the sensitivity coefficient of each elementary reaction in the basic combustion mechanism model according to the influence of each elementary reaction in the basic combustion mechanism model on laminar flow combustion speed and ignition delay time;
and selecting the elementary reactions of which the sensitivity coefficients are smaller than a preset threshold and belong to ammonia/hydrogen sensitive elementary reactions as complementary elementary substances according to the sensitivity coefficients of the elementary reactions in the basic combustion mechanism model, and adding the complementary elementary substances into the basic combustion mechanism model.
10. The apparatus for constructing an ammonia-containing combustion mechanism model as claimed in claim 6, wherein the reaction parameters include, in particular, a pre-finger factor, a temperature index and an activation energy of the elementary reactions.
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