CN110942810A - Thermal theory-based gas fuel flammability limit prediction method - Google Patents

Thermal theory-based gas fuel flammability limit prediction method Download PDF

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CN110942810A
CN110942810A CN201911021697.XA CN201911021697A CN110942810A CN 110942810 A CN110942810 A CN 110942810A CN 201911021697 A CN201911021697 A CN 201911021697A CN 110942810 A CN110942810 A CN 110942810A
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combustible
fuel
limit point
gas fuel
limit
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胡贤忠
郜晓辉
谢清华
梁容真
阎富生
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Northeastern University China
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    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
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Abstract

The invention provides a thermal theory-based gas fuel flammability limit prediction method, and relates to O2/CO2The technical field of combustion. The method first determines the chemical formula of the gaseous fuel and puts the gaseous fuel at O2/CO2The combustion chemical reaction process under the atmosphere is expressed by a reaction equation; then determining an energy balance equation at a combustible lower limit point and a combustible upper limit point of the combustible gas, and further determining the relationship of the heat release of the gas fuel at the combustible lower limit point and the combustible upper limit point; and finally, determining the heat release capacity of the fuel at the lower combustible limit point and the upper combustible limit point and the cooling capacity of the gas fuel according to the energy balance equation of the gas fuel at the lower combustible limit point and the upper combustible limit point under the pure oxygen condition, and further obtaining the upper combustible limit and the lower combustible limit of the gas fuel. The method of the inventionCompared with a chemical reaction kinetic simulation method with more accurate calculation, the method has the advantages that the calculated amount is much smaller, and the precision can meet the engineering calculation requirement.

Description

Thermal theory-based gas fuel flammability limit prediction method
Technical Field
The invention relates to O2/CO2The technical field of combustion, in particular to a gas fuel flammability limit prediction method based on a thermal theory.
Background
Global warming is one of the major environmental issues facing mankind to date and one of the most complex challenges facing mankind in the 21 st century. The dramatic increase in atmospheric carbon dioxide concentration is an important driver of global warming. To control and reduce CO2The carbon capture technology is gradually gaining attention. Wherein, O2/CO2Combustion technology is one of the most promising technologies for carbon capture. O is2/CO2The combustion technology uses pure oxygen to replace air as a combustion improver for fuel combustion, and the smoke components mainly comprise CO2And H2And O. Wherein the water vapor is easily removed by a condensing device, and the residual flue gas is high-purity CO2Can greatly reduce CO2The capture cost of (a).
O2/CO2In the course of the application of combustion technology, combustion stability is increasingly being emphasized, since O2/CO2The safe use of combustion depends on the stability of the combustion, in particular the flammability limit of the fuel. The flammability limits of the fuel include an upper flammability limit and a lower flammability limit. Turns gives the following definitions: the lower flammability limit is the lowest value of fuel content that allows steady state flame propagation, i.e., the lean flammability limit; the upper flammability limit refers to the highest value of the fuel content that allows flame propagation, i.e., the rich flammability limit. The upper flammability limit and the lower flammability limit together define the concentration range in which the fuel is flammable, i.e., the flammable regime. Although the flammability limit cannot be used directly to predict the stability of combustion on an actual combustion device, the flammability limit is a necessary condition and criterion for determining the flammability of the mixture. The mixture is combustible so that the fuel and oxidant ratio must be within the combustible region. In addition, prevention of a flammable gas fire or explosion also requires detailed knowledge of the flammable region of the fuel. Fuel in O2/CO2The flammability limit under atmosphere is judged to be O2/CO2Stable combustion of fuel under atmosphereQualitative important basis, also for safety applications O2/CO2An important basis for combustion technology. Thus accurately predicting O2/CO2The flammability limit of the fuel under atmosphere is particularly important.
The current combustible limit prediction method is obtained based on air atmosphere and specially aims at O2/CO2Predictive models of the flammability limits of gaseous fuels under atmosphere are lacking.
Disclosure of Invention
The invention aims to solve the technical problem of providing a thermal theory-based gas fuel flammability limit prediction method for determining O in order to overcome the defects of the prior art2/CO2Gaseous fuel flammability limit under atmosphere.
In order to solve the technical problems, the technical scheme adopted by the invention is as follows: a thermal theory-based method for predicting the combustible limit of a gaseous fuel comprises the following steps:
step 1, determining the chemical formula of the gas fuel and putting the gas fuel at O2/CO2The combustion chemical reaction process under the atmosphere is represented by a reaction equation as shown in the following formula:
M+kO2+CdCO2=C1H2O+C2CO2+CdCO2(1)
wherein M is a gaseous fuel, d is a diluent gas, CdAs dilution gas CO2Stoichiometric coefficient of (C)1Denotes the stoichiometric coefficient of water formation from the complete reaction, C2Indicates complete reaction to CO2K is the stoichiometric number of oxygen required for complete combustion of the gaseous fuel;
step 2, determining energy balance equations at a combustible lower limit point and a combustible upper limit point of the combustible gas according to a thermal theory, and further determining the relationship between the heat release of the gas fuel at the combustible lower limit point and the heat release of the gas fuel at the combustible upper limit point;
the energy balance equation at the lower flammability limit point is shown as follows:
Figure BDA0002247412800000021
wherein x isLLower flammability limit of gaseous fuel, xDAs dilution gas CO2Concentration of (2), QDExpressed is dilution gas CO2The cooling capacity of the cooling device (c),
Figure BDA0002247412800000022
expressed is the cooling capacity, Q, of pure oxygenFExpressed is the cooling capacity of the fuel, HFExpressed is the heat release capacity of the combustible lower limit fuel, HOHeat release capacity of combustible upper limit point fuel, QDAnd
Figure BDA0002247412800000023
the value of (b) is a dimensionless quantity compared to the cooling capacity of the air;
the energy balance equation at the upper flammability limit point is given by:
Figure BDA0002247412800000024
wherein x isUIs the upper flammability limit of the fuel;
for the energy balance equation at the lower flammable limit point and the energy balance equation at the upper flammable limit point, the first term on the left side of the equation represents the cooling amount of the fuel, the second term on the left side represents the cooling amount of the diluent gas, the third term on the left side represents the cooling amount of the oxygen, and the right side represents the heat release amount of the fuel; at the lower limit of flammability, the gas fuel is exhausted, the oxygen remains, and the heat release H of the gas fuelFCalculating according to the amount of fuel; at the upper limit of flammability, oxygen is exhausted, gas fuel remains, and the heat release H of gas fuelODetermined by the amount of oxygen;
from the chemical equation for combustion of M gaseous fuel, 1mol of M gaseous fuel requires kmol of oxygen, so HFAnd HOThe relationship of (a) is shown as follows:
HF=kHO(4)
step 3, determining the heat release capacity of the combustible lower limit point and the combustible upper limit point of the gas fuel and the cooling capacity of the gas fuel under the pure oxygen condition according to the energy balance equation of the combustible lower limit point and the combustible upper limit point of the gas fuel under the pure oxygen condition, and further obtaining the combustible upper limit and the combustible lower limit of the gas fuel;
determining the heat release capacity H of the combustible upper limit point fuel according to the energy balance equation of the combustible lower limit point and the combustible upper limit point of the gas fuel under the pure oxygen conditionOAnd cooling capacity Q of the gaseous fuelFAs shown in the following equation:
Figure BDA0002247412800000031
Figure BDA0002247412800000032
wherein, XLIs the combustible lower limit, X, of the gas fuel under the pure oxygen working conditionUThe fuel is the combustible upper limit of the gas fuel under the pure oxygen working condition; further obtain the combustible upper limit and the combustible lower limit of the gas fuel, as shown in the following formula,
Figure BDA0002247412800000033
Figure BDA0002247412800000034
wherein Q isFAnd HOThe values of these two quantities, which depend only on the type of gaseous fuel, are calculated on the flammability limit of the gaseous fuel in the pure oxygen regime.
Adopt the produced beneficial effect of above-mentioned technical scheme to lie in: compared with the existing calculation method, the method for predicting the combustible limit of the gas fuel based on the thermal theory has the following advantages: 1. under the condition of the same calculated amount, the calculation accuracy is high, and particularly in the aspect of combustible upper limit calculation, the accuracy is superior to that of the existing engineering calculation method; 2. the method is basically independent of experimental results, is derived based on a first law of thermodynamics, and is a theoretical calculation formula except for calculation of correlation coefficients; 3. compared with a chemical reaction kinetic simulation method with more accurate calculation, the method has the advantages that the calculated amount is much smaller, and the precision can meet the engineering calculation requirement.
Drawings
FIG. 1 is a flow chart of a thermal theory based method for predicting flammability limit of a gaseous fuel according to an embodiment of the present invention;
FIG. 2 is a diagram illustrating a flammability limit point x according to a first embodiment of the present inventionL,xUWith dilution gas CO2Concentration x ofDGraph of the variation relationship of (c).
Detailed Description
The following detailed description of embodiments of the present invention is provided in connection with the accompanying drawings and examples. The following examples are intended to illustrate the invention but are not intended to limit the scope of the invention.
The present embodiment uses gas fuel H2For example, the combustible limit of the gaseous fuel is predicted by using the combustible limit prediction method of the gaseous fuel based on the thermal theory.
A thermal theory based combustible limit prediction method for gaseous fuel, as shown in fig. 1, includes the following steps:
step 1, determining the chemical formula of the gas fuel and putting the gas fuel at O2/CO2The combustion chemical reaction process under the atmosphere is represented by a reaction equation as shown in the following formula:
M+kO2+CdCO2=C1H2O+C2CO2+CdCO2(1)
wherein M is a gaseous fuel, d is a diluent gas, CdAs dilution gas CO2Stoichiometric coefficient of (C)1Denotes the stoichiometric coefficient of water formation from the complete reaction, C2Indicates complete reaction to CO2K is the stoichiometric number of oxygen required for complete combustion of the gaseous fuel;
step 2, determining energy balance equations at a combustible lower limit point and a combustible upper limit point of the combustible gas according to a thermal theory, and further determining the relationship between the heat release of the gas fuel at the combustible lower limit point and the heat release of the gas fuel at the combustible upper limit point;
the energy balance equation at the lower flammability limit point is shown as follows:
Figure BDA0002247412800000041
wherein x isLLower flammability limit of gaseous fuel, xDAs dilution gas CO2Concentration of (2), QDExpressed is dilution gas CO2The cooling capacity of the cooling device (c),
Figure BDA0002247412800000042
expressed is the cooling capacity, Q, of pure oxygenFExpressed is the cooling capacity of the fuel, HFExpressed is the heat release capacity of the combustible lower limit fuel, HOHeat release capacity of combustible upper limit point fuel, QDAnd
Figure BDA0002247412800000043
the value of (A) is a dimensionless quantity, Q, after comparison of the cooling capacity of the airDAnd
Figure BDA0002247412800000044
the values at different temperatures are shown in table 1:
TABLE 1QDAnd
Figure BDA0002247412800000045
cooling capacity under different temperature conditions
Figure BDA0002247412800000046
The energy balance equation at the upper flammability limit point is given by:
Figure BDA0002247412800000047
wherein x isUIs the upper flammability limit of the fuel;
for the energy balance equation at the lower flammable limit point and the energy balance equation at the lower flammable limit point, the first term on the left side of the equation represents the cooling amount of the fuel, the second term on the left side represents the cooling amount of the diluent gas, the third term on the left side represents the cooling amount of the oxygen, and the right side represents the heat release amount of the fuel; at the lower limit of flammability, the gas fuel is exhausted, the oxygen remains, and the heat release H of the gas fuelFCalculating according to the amount of fuel; at the upper limit of flammability, oxygen is exhausted, gas fuel remains, and the heat release H of gas fuelODetermined by the amount of oxygen;
from the chemical equation for combustion of M gaseous fuel, 1mol of M gaseous fuel requires kmol of oxygen, so HFAnd HOThe relationship of (a) is shown as follows:
HF=kHO(4)
step 3, determining the heat release capacity of the combustible lower limit point and the combustible upper limit point of the gas fuel and the cooling capacity of the gas fuel under the pure oxygen condition according to the energy balance equation of the combustible lower limit point and the combustible upper limit point of the gas fuel under the pure oxygen condition, and further obtaining the combustible upper limit and the combustible lower limit of the gas fuel;
determining the heat release capacity H of the combustible upper limit point fuel according to the energy balance equation of the combustible lower limit point and the combustible upper limit point of the gas fuel under the pure oxygen conditionOAnd cooling capacity Q of the gaseous fuelFAs shown in the following equation:
Figure BDA0002247412800000051
Figure BDA0002247412800000052
wherein, XLIs the combustible lower limit, X, of the gas fuel under the pure oxygen working conditionUFor gas combustionThe combustible upper limit of the material under the pure oxygen working condition; further obtain the combustible upper limit and the combustible lower limit of the gas fuel, as shown in the following formula,
Figure BDA0002247412800000053
Figure BDA0002247412800000054
wherein Q isFAnd HOThe values of these two quantities, which depend only on the type of gaseous fuel, are calculated on the flammability limit of the gaseous fuel in the pure oxygen regime.
In the present embodiment, gaseous fuel H2The chemical reaction equation of (a) is:
H2+kO2+CdCO2=C1H2O+C2CO2+CdCO2
where k is 0.5, C1=1,C2=0,CdIs determined according to the oxygen concentration, e.g. C at 20% oxygen concentrationd=2。
In this example, H is taken2The flammable limit under the pure oxygen condition is 4-94 percent, namely XL=0.04,XU0.94 and k 0.5, and mixing XL,XUSubstituting the values of sum k into equations (5) and (6), Q can be obtainedFHas a value of 3.597219512, HOHas a value of 57.40243902, HFHas a value of 28.70121951.
Then Q is addedF,HO,HFSubstituting the value of (A) into equations (7) and (8) to obtain the value of M in O2/CO2Flammability limit under atmosphere xL,xUThe specific expression of (1):
Figure BDA0002247412800000061
Figure BDA0002247412800000062
as can be seen from (9) and (10), xL,xUIs related to xDLinear function of (c). The present embodiment assumes xDA gradient of 0.0001 from 0 to 1, giving xL,xUWith xDThe relationship of change of (2) can be clearly read from the graph at a specific CO2H at concentration2Flammability limit xL,xUThe value of (c).
Finally, it should be noted that: the above examples are only intended to illustrate the technical solution of the present invention, but not to limit it; although the present invention has been described in detail with reference to the foregoing embodiments, it will be understood by those of ordinary skill in the art that: the technical solutions described in the foregoing embodiments may still be modified, or some or all of the technical features may be equivalently replaced; such modifications and substitutions do not depart from the spirit of the corresponding technical solutions and scope of the present invention as defined in the appended claims.

Claims (4)

1. A thermal theory-based gas fuel flammability limit prediction method is characterized in that: the method comprises the following steps:
step 1, determining the chemical formula of the gas fuel, and enabling the gas fuel to be in O2/CO2The combustion chemical reaction process under the atmosphere is expressed by a reaction equation;
step 2, determining energy balance equations at a combustible lower limit point and a combustible upper limit point of the combustible gas according to a thermal theory, and further determining the relationship between the heat release of the gas fuel at the combustible lower limit point and the heat release of the gas fuel at the combustible upper limit point;
and 3, determining the heat release capacity of the fuel at the lower combustible limit point and the upper combustible limit point and the cooling capacity of the gas fuel according to the energy balance equation of the gas fuel at the lower combustible limit point and the upper combustible limit point under the pure oxygen condition, and further obtaining the upper combustible limit and the lower combustible limit of the gas fuel.
2. A method as claimed in claim 1The method for predicting the combustible limit of the gas fuel based on the thermal theory is characterized by comprising the following steps of: as shown in the following formula: the gaseous fuel is in O2/CO2The chemical reaction process equation of combustion under atmosphere is as follows:
M+kO2+CdCO2=C1H2O+C2CO2+CdCO2(1)
wherein M is a gaseous fuel, d is a diluent gas, CdAs dilution gas CO2Stoichiometric coefficient of (C)1Denotes the stoichiometric coefficient of water formation from the complete reaction, C2Indicates complete reaction to CO2K is the stoichiometric number of oxygen required for complete combustion of the gaseous fuel.
3. A thermal theory based method of predicting flammability limits of gaseous fuels according to claim 2, wherein: the energy balance equation at the lower flammability limit point in step 2 is shown as follows:
Figure FDA0002247412790000011
wherein x isLLower flammability limit of gaseous fuel, xDAs dilution gas CO2Concentration of (2), QDExpressed is dilution gas CO2The cooling capacity of the cooling device (c),
Figure FDA0002247412790000012
expressed is the cooling capacity, Q, of pure oxygenFExpressed is the cooling capacity of the fuel, HFExpressed is the heat release capacity of the combustible lower limit fuel, HOHeat release capacity of combustible upper limit point fuel, QDAnd
Figure FDA0002247412790000013
the value of (b) is a dimensionless quantity compared to the cooling capacity of the air;
the energy balance equation at the upper flammability limit point is given by:
Figure FDA0002247412790000014
wherein x isUIs the upper flammability limit of the fuel;
for the energy balance equation at the lower flammable limit point and the energy balance equation at the upper flammable limit point, the first term on the left side of the equation represents the cooling amount of the fuel, the second term on the left side represents the cooling amount of the diluent gas, the third term on the left side represents the cooling amount of the oxygen, and the right side represents the heat release amount of the fuel; at the lower limit of flammability, the gas fuel is exhausted, the oxygen remains, and the heat release H of the gas fuelFCalculating according to the amount of fuel; at the upper limit of flammability, oxygen is exhausted, gas fuel remains, and the heat release H of gas fuelODetermined by the amount of oxygen;
as is derived from the chemical equation for combustion of M gas fuel, 1mol of M gas fuel requires kmol of oxygen, so the heat release amount H of the gas fuel at the lower flammable limit pointFAnd the heat release amount H of the gaseous fuel at the upper limit point of flammabilityOThe relationship of (a) is shown as follows:
HF=kHO(4)。
4. a thermal theory based method of predicting flammability limits of gaseous fuels according to claim 3, wherein: the specific method of the step 3 comprises the following steps:
determining the heat release capacity H of the combustible upper limit point fuel according to the energy balance equation of the combustible lower limit point and the combustible upper limit point of the gas fuel under the pure oxygen conditionOAnd cooling capacity Q of the gaseous fuelFAs shown in the following equation:
Figure FDA0002247412790000021
Figure FDA0002247412790000022
wherein, XLIs the combustible lower limit, X, of the gas fuel under the pure oxygen working conditionUThe fuel is the combustible upper limit of the gas fuel under the pure oxygen working condition; further obtain the combustible upper limit and the combustible lower limit of the gas fuel, as shown in the following formula,
Figure FDA0002247412790000023
Figure FDA0002247412790000024
wherein Q isFAnd HOThe values of these two quantities, which depend only on the type of gaseous fuel, are calculated on the flammability limit of the gaseous fuel in the pure oxygen regime.
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US20090162294A1 (en) * 2004-11-22 2009-06-25 Johannes Werner Disposable inhaler
US20120234085A1 (en) * 2011-03-16 2012-09-20 Honda Motor Co., Ltd. Air-fuel ratio estimating/detecting device
WO2013104461A1 (en) * 2012-01-13 2013-07-18 L'air Liquide,Societe Anonyme Pour L'etude Et L'exploitation Des Procedes Georges Claude Method for the preparation of compressed oxidant-fuel gas mixtures
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