A dynamic formula acquisition method, device, system and storage medium

Abstract

The application discloses a kinetics formula acquisition method, device, system and storage medium. The method comprises the following steps: performing an ARC experiment on a to-be-tested substance to obtain multiple groups of exothermic curves of the to-be-tested substance; determining multiple groups of kinetics factors corresponding to the multiple groups of exothermic curves; when the multiple groups of kinetics factors are all different and the heat inertia is a preset value, determining multiple groups of ARC fitting curves corresponding to the multiple groups of kinetics factors respectively; comparing the multiple groups of ARC fitting curves with a VSP fitting curve corresponding to the to-be-tested substance; selecting, according to a comparison result, one group of ARC fitting curves closest to the VSP fitting curve corresponding to the to-be-tested substance from the multiple groups of ARC fitting curves as a target ARC fitting curve; determining a target kinetics formula corresponding to the target ARC fitting curve, and taking the target kinetics formula as a kinetics formula corresponding to the to-be-tested substance. The present application can improve the fitting accuracy of the kinetics formula and the actual industrial control scheme.

Description

Technical Field

[0001] This application relates to the field of chemical control technology, and in particular to a method, apparatus, system and storage medium for obtaining kinetic formulas. Background Technology

[0002] ARC (Accelerating Rate Calorimeter) assesses the initial reaction temperature, thermal runaway temperature, destructive effects, and reaction process of a substance's chemical reaction under adiabatic conditions by testing time-temperature-pressure data. This provides data for studying the thermal decomposition and runaway reaction mechanisms of substances, supporting process safety and product safety assessments. Currently, ARC testing is mainly used for laboratory research and analysis. However, in actual industrial production, production conditions and environments differ significantly from those in the laboratory. Therefore, ARC testing for studying the decomposition kinetics of substances still faces challenges in accurately adapting to industrial control schemes.

[0003] Therefore, how to provide a method for obtaining dynamic formulas to improve the accuracy of the adaptation of dynamic formulas to actual industrial control schemes has become an urgent technical problem to be solved. Summary of the Invention

[0004] This application provides a method, apparatus, system, and storage medium for obtaining dynamic formulas, in order to improve the accuracy of the adaptation between dynamic formulas and actual industrial control schemes.

[0005] This application provides a method for obtaining dynamic formulas, including:

[0006] An ARC experiment was performed on the test substance to obtain multiple sets of exothermic curves for the test substance;

[0007] Determine the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves;

[0008] When the multiple sets of dynamic factors are all different, determine the multiple ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value;

[0009] The multiple sets of ARC fitting curves are compared with the VSP fitting curves corresponding to the analyte.

[0010] Based on the comparison results, the ARC fitting curve that is closest to the VSP fitting curve corresponding to the substance to be tested is selected from the multiple sets of ARC fitting curves as the target ARC fitting curve.

[0011] Determine the target kinetic formula corresponding to the target ARC fitting curve, and use the target kinetic formula as the kinetic formula corresponding to the substance to be tested.

[0012] The beneficial effects of this application are as follows: By conducting ARC experiments on the test substance to obtain multiple sets of exothermic curves for the test substance, and determining multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves, when the multiple sets of kinetic factors are all different, multiple sets of ARC fitting curves corresponding to the multiple sets of kinetic factors when the thermal inertia is a preset value are determined. The multiple sets of ARC fitting curves are compared with the VSP fitting curve corresponding to the test substance. Based on the comparison results, the ARC fitting curve that is closest to the VSP fitting curve corresponding to the test substance is selected from the multiple sets of ARC fitting curves as the target ARC fitting curve. The target kinetic formula corresponding to the target ARC fitting curve is determined, and the target kinetic formula is used as the kinetic formula corresponding to the test substance. Since this application first applies the ARC test results to fit the kinetic formula, and then uses VSP to verify the kinetics obtained from the ARC experiment, selecting the most accurate thermodynamic fitting result, the accuracy of the ARC kinetic results can be improved, and the matching accuracy between the kinetic formula and the actual industrial control scheme can be improved.

[0013] In one embodiment, an ARC experiment is performed on the test substance to obtain multiple sets of exothermic curves for the test substance, including:

[0014] Obtain the ARC experimental results for the test material under various different thermal inertia conditions;

[0015] The multiple sets of exothermic curves corresponding to the test substance under different thermal inertia were determined by using the ARC experimental results of the test substance under different thermal inertia.

[0016] In one embodiment, determining the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves includes:

[0017] Select one set of exothermic curves from the multiple sets of exothermic curves as the target exothermic curve;

[0018] Obtain the preset heat release segment data corresponding to the target heat release curve, wherein the preset heat release segment data includes time, temperature and temperature rise rate;

[0019] The calculated value of the reaction order is determined by the preset exothermic section data and the reaction order setting value;

[0020] Based on the calculated reaction order, determine the calculated activation energy and the pre-exponential factor corresponding to the calculated reaction order;

[0021] The calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order are determined as the kinetic factors corresponding to the target exothermic curve;

[0022] Once the kinetic factor corresponding to the target exothermic curve is obtained, the above steps are repeated until all exothermic curves are selected and the kinetic factors corresponding to all exothermic curves are obtained.

[0023] In one embodiment, determining the calculated reaction order value using the preset exothermic section data and the reaction order set value includes:

[0024] Substitute the reaction order setting value into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value;

[0025] Substitute the candidate activation energy value into the second preset formula to determine the candidate reaction order value:

[0026] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value, and the candidate reaction order obtained from the last iteration is used as the calculated reaction order value.

[0027] In one embodiment, the iterative operation on the candidate reaction order values ​​continues until the difference between the assumed reaction order value and the candidate reaction order value is less than a set value, including...

[0028] Substituting the candidate values ​​of the reaction order into the first preset formula, we obtain the candidate values ​​of the activation energy corresponding to the set value of the reaction order. The first preset formula is as follows:

[0029] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m )

[0030] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mf The temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0031] Substitute the candidate activation energy value into the following second preset formula to determine the new candidate reaction order value:

[0032] n ′=E / R*(T) mf -T m ) / T mm 2

[0033] Where, n ′ The reaction order is a candidate value; E is the activation energy; R is the gas constant; T is the reaction order. mf The temperature at the final point where heat release ends, in K; T mm This is the temperature at which the reaction rate is at its maximum.

[0034] Compare the difference between the assumed reaction order and the candidate reaction order;

[0035] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, the currently obtained candidate reaction order is repeatedly substituted into the first preset formula to repeatedly obtain a new candidate activation energy, and the new candidate activation energy is repeatedly substituted into the second preset formula to repeatedly obtain a new candidate reaction order, until the difference between the assumed reaction order and the newly obtained candidate reaction order is less than the set value.

[0036] In one embodiment, the determination of multiple sets of ARC fitting curves when the thermal inertia is a preset value includes:

[0037] Determine the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and thermal inertia corresponding to the multiple sets of kinetic factors when they are all at the preset values.

[0038] Based on the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value, corresponding to the multiple sets of kinetic factors, multiple ARC fitting curves are plotted when the thermal inertia is the preset value.

[0039] In one embodiment, determining the target dynamic formula corresponding to the target ARC fitting curve includes:

[0040] Determine the dynamic factor corresponding to the target ARC fitting curve;

[0041] Substituting the dynamic factors into the following third preset formula, the target dynamic formula is obtained:

[0042] r = A * exp(-E / (RT)) * C A n

[0043] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0044] This application also provides a device for obtaining dynamic formulas, including:

[0045] The experimental module is used to perform ARC experiments on the test substance to obtain multiple sets of exothermic curves of the test substance;

[0046] The first determining module is used to determine the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves;

[0047] The second determining module is used to determine the multiple ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value, when the multiple sets of dynamic factors are all different.

[0048] The comparison module is used to compare the multiple sets of ARC fitting curves with the VSP fitting curves corresponding to the substance to be tested;

[0049] The selection module is used to select, based on the comparison results, the set of ARC fitting curves that is closest to the VSP fitting curve corresponding to the substance to be tested from the multiple sets of ARC fitting curves as the target ARC fitting curve.

[0050] The third determining module is used to determine the target kinetic formula corresponding to the target ARC fitting curve, and to use the target kinetic formula as the kinetic formula corresponding to the substance to be tested.

[0051] In one embodiment, the experimental module includes:

[0052] The acquisition submodule is used to acquire the ARC experimental results of the test material under various different thermal inertia conditions.

[0053] The first determining submodule is used to determine multiple sets of exothermic curves corresponding to the test substance under different thermal inertia based on the ARC experimental results corresponding to the test substance under different thermal inertia.

[0054] In one embodiment, the first determining module includes:

[0055] A selection submodule is used to select one set of exothermic curves from the multiple sets of exothermic curves as the target exothermic curve.

[0056] The acquisition submodule is used to acquire the preset heat release segment data corresponding to the target heat release curve, wherein the preset heat release segment data includes time, temperature and temperature rise rate;

[0057] The second determining submodule is used to determine the calculated value of the reaction order through the preset exothermic section data and the reaction order setting value;

[0058] The calculation submodule is used to determine the activation energy calculation value corresponding to the reaction order calculation value and the pre-exponential factor corresponding to the reaction order calculation value based on the reaction order calculation value.

[0059] The third determining submodule is used to determine the calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order as the kinetic factor corresponding to the target exothermic curve;

[0060] The stop submodule is used to repeatedly execute the above steps after obtaining the kinetic factor corresponding to the target exothermic curve, until all exothermic curves have been selected and the kinetic factors corresponding to all exothermic curves have been obtained.

[0061] In one embodiment, the second determining submodule is further configured to:

[0062] Substitute the reaction order setting value into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value;

[0063] Substitute the candidate activation energy value into the second preset formula to determine the candidate reaction order value:

[0064] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value, and the candidate reaction order obtained from the last iteration is used as the calculated reaction order value.

[0065] In one embodiment, the iterative operation on the candidate reaction order values ​​continues until the difference between the assumed reaction order value and the candidate reaction order value is less than a set value, including...

[0066] Substituting the candidate values ​​of the reaction order into the first preset formula, we obtain the candidate values ​​of the activation energy corresponding to the set value of the reaction order. The first preset formula is as follows:

[0067] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m )

[0068] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mfThe temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0069] Substitute the candidate activation energy value into the following second preset formula to determine the new candidate reaction order value:

[0070] n ′ =E / R*(T) mf -T m ) / T mm 2

[0071] Where, n ′ The reaction order is a candidate value; E is the activation energy; R is the gas constant; T is the reaction order. mf The temperature at the final point where heat release ends, in K; T mm This is the temperature at which the reaction rate is at its maximum.

[0072] Compare the difference between the assumed reaction order and the candidate reaction order;

[0073] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, the currently obtained candidate reaction order is repeatedly substituted into the first preset formula to repeatedly obtain a new candidate activation energy, and the new candidate activation energy is repeatedly substituted into the second preset formula to repeatedly obtain a new candidate reaction order, until the difference between the assumed reaction order and the newly obtained candidate reaction order is less than the set value.

[0074] In one embodiment, the second determining module includes:

[0075] The fourth determining submodule is used to determine the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value, respectively, corresponding to the multiple sets of kinetic factors.

[0076] The plotting submodule is used to plot multiple ARC fitting curves with thermal inertia at the preset value based on the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate with thermal inertia at the preset value corresponding to the multiple sets of kinetic factors.

[0077] In one embodiment, the third determining module includes:

[0078] The fifth determining submodule is used to determine the dynamic factor corresponding to the target ARC fitting curve;

[0079] The substitution submodule is used to substitute the dynamic factors into the following third preset formula to obtain the target dynamic formula:

[0080] r = A * exp(-E / (RT)) * C A n

[0081] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0082] This application also provides a system for obtaining dynamic formulas, including:

[0083] At least one processor; and,

[0084] A memory communicatively connected to the at least one processor; wherein,

[0085] The memory stores instructions that can be executed by the at least one processor to implement the dynamic formula acquisition method described in any of the above embodiments.

[0086] This application also provides a computer-readable storage medium, which, when the instructions in the storage medium are executed by the processor corresponding to the dynamic formula acquisition system, enables the dynamic formula acquisition system to implement the dynamic formula acquisition method described in any of the above embodiments.

[0087] Other features and advantages of this application will be set forth in the description which follows, and will be apparent in part from the description, or may be learned by practicing the application. The objectives and other advantages of this application may be realized and obtained by means of the structures particularly pointed out in the written description, claims, and drawings.

[0088] The technical solution of this application will be further described in detail below with reference to the accompanying drawings and embodiments. Attached Figure Description

[0089] The accompanying drawings are provided to further illustrate the present application and form part of the specification. They are used together with the embodiments of the present application to explain the application and do not constitute a limitation thereof. In the drawings:

[0090] Figure 1 This is a flowchart of a method for obtaining a dynamic formula in one embodiment of this application;

[0091] Figure 2A This is a graph showing the exothermic segment of temperature and time in test result ① of one embodiment of this application;

[0092] Figure 2B This is a graph showing the exothermic phase of the test result (temperature and time) in embodiment ② of this application.

[0093] Figure 2CThis is a graph showing the exothermic segment of temperature and time in test result ③ of one embodiment of this application;

[0094] Figure 3 This is a graph showing the temperature and time exothermic phase of the VSP2 test results in one embodiment of this application;

[0095] Figure 4 This is a schematic diagram of the cooling water flow control result in one embodiment of this application;

[0096] Figure 5 This is a schematic diagram of the structure of a dynamic formula acquisition device according to an embodiment of this application;

[0097] Figure 6 This is a schematic diagram of the hardware structure of a dynamic formula acquisition system according to an embodiment of this application. Detailed Implementation

[0098] The preferred embodiments of this application are described below with reference to the accompanying drawings. It should be understood that the preferred embodiments described herein are for illustration and explanation only and are not intended to limit this application.

[0099] Figure 1 This is a flowchart of a method for obtaining a dynamic formula in one embodiment of this application, as shown below. Figure 1 As shown, the method can be implemented as follows: S101-S106:

[0100] In step S101, an ARC experiment is performed on the test substance to obtain multiple sets of exothermic curves of the test substance;

[0101] In step S102, multiple kinetic factors corresponding to the multiple sets of exothermic curves are determined;

[0102] In step S103, when the multiple sets of dynamic factors are all different, the multiple sets of ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value are determined.

[0103] In step S104, the multiple sets of ARC fitting curves are compared with the VSP fitting curves corresponding to the substance to be tested;

[0104] In step S105, based on the comparison results, the set of ARC fitting curves that is closest to the VSP fitting curve corresponding to the substance to be tested is selected from the multiple sets of ARC fitting curves as the target ARC fitting curve.

[0105] In step S106, the target kinetic formula corresponding to the target ARC fitting curve is determined, and the target kinetic formula is used as the kinetic formula corresponding to the substance to be tested.

[0106] In this application, an ARC experiment is performed on the test substance to obtain multiple sets of exothermic curves for the test substance. Specifically, the ARC experimental results corresponding to the test substance under various different thermal inertias are obtained. Multiple sets of exothermic curves corresponding to the test substance under different thermal inertias are determined based on the ARC experimental results corresponding to the test substance under various different thermal inertias. In one embodiment of this application, three test balls of the same material are taken, and fresh test substance is placed into each of the three test balls, so that the three test balls have different thermal inertias. Thermal inertia is the inertia of a substance to heat and is one of the indicators for measuring the thermal properties of each substance. When a substance with a large thermal inertia is affected by ambient thermal disturbances, its temperature changes less; when a substance with a small thermal inertia is affected by ambient thermal disturbances, its temperature changes more. During the experiment, thermal inertia... Choose a value between 1.5 and 2.5. Specifically, the thermal inertia can be determined using the following formula:

[0107]

[0108] Where, m s For sample quality; C s m is the specific heat capacity of the sample. b To test the mass of the ball; C b To determine the specific heat capacity of the test spheres, the three test spheres were then operated according to the standard ARC experiment, resulting in three sets of exothermic curves. Specifically, the temperature was increased in a programmed stepwise manner using the HWS mode provided in the software, thereby obtaining the curves showing the changes in material pressure and temperature over time within the test tank.

[0109] Determine the multiple kinetic factors corresponding to the multiple sets of exothermic curves. (1) Select one set of exothermic curves from the multiple sets of exothermic curves as the target exothermic curve; (2) Obtain the preset exothermic segment data corresponding to the target exothermic curve, wherein the preset exothermic segment data includes time, temperature and temperature rise rate; Taking the above embodiment as an example, select one set of exothermic curves from any of the three sets of exothermic curves as the target exothermic curve, and derive the exothermic segment data such as time, temperature, pressure, temperature rise rate and pressure rise rate from the selected set of exothermic curves; (3) Determine the calculated value of the reaction order through the preset exothermic segment data and the reaction order setting value. Specifically, ① First, assume a reaction order setting value, substitute the reaction order setting value into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value, wherein the first preset formula is as follows:

[0110] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (Tmf -T m0 ))+lnA-E / (RT m )

[0111] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mf The temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0112] Using the first preset formula, assuming n, (n-1)ln(C A0 / (T mf -T m0 Since ln((dT))+InA are both constants, we can plot ln((dT))+InA. m / dt) / (T mf -T m ) n ) and -1000 / T m The graph shows the slope of the straight line, which is E / R, and R is a constant. From this, the activation energy E of the reaction can be calculated.

[0113] ② Substitute the candidate activation energy value into the second preset formula to determine the candidate reaction order value, wherein the second preset formula is as follows:

[0114] n′=E / R*(T mf -T m ) / T mm 2

[0115] Where n′ is a candidate value for the reaction order; E is the activation energy; R is the gas constant; T mf The temperature at the final point where heat release ends, in K; T mm This represents the temperature at which the reaction rate is at its maximum.

[0116] ③ When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value. The candidate reaction order obtained from the last iteration is then used as the calculated reaction order. In other words, by comparing the difference between the assumed reaction order n and the calculated reaction order n', if the difference between n and n' is less than the set value, it indicates that the assumed reaction order n is accurate. Otherwise, if the difference is greater than the set value, the calculated reaction order n' is substituted into the first preset formula and the second preset formula, and the candidate reaction order is calculated iteratively until the difference between the assumed reaction order n and the calculated reaction order n' is less than the set value.

[0117] (4) Determine the calculated activation energy and the pre-exponential factor corresponding to the calculated reaction order based on the calculated reaction order value. After obtaining the calculated reaction order value, substitute the calculated reaction order value n' and the corresponding activation energy E into the first preset formula above to calculate the pre-exponential factor A.

[0118] (5) Determine the calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order as the kinetic factors corresponding to the target exothermic curve; In the above embodiment, the three sets of exothermic curves are calculated, and the corresponding kinetic factors can be obtained respectively, namely the calculated value of the reaction order n', the corresponding activation energy E, and the pre-exponential factor A.

[0119] (6) After obtaining the kinetic factor corresponding to the target exothermic curve, repeat the above steps until all exothermic curves are selected and the kinetic factor corresponding to all exothermic curves is obtained.

[0120] When the multiple sets of dynamic factors are identical, the obtained dynamic factor is substituted into the third preset formula as the final dynamic factor to form the final dynamic formula. Specifically, the third preset formula is as follows:

[0121] r = A * exp(-E / (RT)) * C A n

[0122] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0123] When the multiple sets of kinetic factors are all different, determine the multiple ARC fitting curves corresponding to the multiple sets of kinetic factors when the thermal inertia is a preset value. Determine the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value for each of the multiple sets of kinetic factors; specifically,

[0124] Substituting the obtained kinetic factors into the first preset formula, we obtain multiple sets of temperature rise rates dTm / dt.

[0125] The first preset formula is as follows:

[0126] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m )

[0127] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mf The temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0128] In addition, substituting the three sets of kinetic factors into the following formula, we obtain three sets of initial heat release temperatures T. A0 ,

[0129]

[0130] At the same time, the starting temperature was calibrated. But not at the same time, for example Corrected to ).

[0131] Furthermore, substituting the three sets of kinetic factors into the following formula, we obtain the heat release temperatures T for all three heat release sections. A ,

[0132]

[0133] T was measured under conditions of equal reactant A concentration. m and T A ,

[0134] Then, the calculated value can be obtained using the following formula. The rate of temperature rise at the value is converted to Temperature rise rate

[0135]

[0136] Finally, based on the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value, corresponding to the multiple sets of kinetic factors, multiple sets of ARC fitting curves are plotted. For example, the points of temperature and temperature rise rate in the measured experimental data, the points of corrected temperature and temperature rise rate, and... The point at which the temperature and the rate of temperature rise occur are all represented on a single graph, thus yielding three sets of data. The fitted curve of the temperature rise rate at that time.

[0137] The multiple sets of ARC fitting curves were compared with the VSP fitting curves corresponding to the analyte; a VSP experiment was performed, and the three sets of... The fitted curves of temperature rise rate and temperature are compared with the fitted curves of VSP results. Specifically, the comparison process can be to calculate the formula of the curve that is closest to the VSP fitted curve or has the most repetition points with the ARC fitted curve as the dynamic application formula, such as calculating the distance between the VSP fitted curve and each ARC fitted curve or the length of the coincident curve; or it can be to calculate the fit degree of multiple ARC fitted curves to the VSP fitted curve. Specifically, the fit degree can be calculated by methods such as the residual sum of squares test and the chi-square test, which are not limited in this application.

[0138] Based on the comparison results, the ARC fitting curve that is closest to the VSP fitting curve corresponding to the analyte is selected from the multiple ARC fitting curves as the target ARC fitting curve; the closest ARC fitting curve can be the curve that is closest to the VSP fitting curve or the curve with the most repetition points, that is, the curve that is closest in distance or the curve with the highest degree of overlap, or the fitting curve with the highest degree of fit.

[0139] The target kinetic formula corresponding to the target ARC fitting curve is determined, and this target kinetic formula is used as the kinetic formula corresponding to the analyte. That is, the kinetic factor corresponding to the target ARC fitting curve is determined, and this kinetic factor is substituted into the following third preset formula to obtain the target kinetic formula:

[0140] r = A * exp(-E / (RT)) * C A n

[0141] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0142] The derivation of the above formula is as follows:

[0143] For the adiabatic mode of ARC, energy balance dictates that the heat released by the test material is completely absorbed by itself and the sphere for heating, hence the equation:

[0144] Equation 1:

[0145] Equation 2:

[0146] in, For thermal inertia, m t To test the mass of a substance, the unit is g; C vt Specific heat capacity of a substance, expressed in J / g / K; T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; ΔH r，A The enthalpy of the exothermic reaction is expressed in J / mol; C A0 The initial concentration of the substance, in mol / m³; C A V represents the concentration of the substance at different times, in mol / m³; V represents the volume of the test material, in m³; T represents the concentration of the substance at different times. mf This is the temperature at the final point where heat release ends, expressed in Kelvin (K).

[0147] And regarding thermal inertia have:

[0148] Equation 3:

[0149] Where, m c The mass of the ball is measured in grams (g); m t To test the mass of a substance, the unit is g; C vc The specific heat of the test sphere is measured in J / g / K; C vt The specific heat of a substance is measured in J / g / K.

[0150] From equations 1 and 2, we can deduce that:

[0151] Equation 4: (T m -T m0 ) / (T mf -T m0 )=(C A0 -C A ) / C A0 =1-C A / C A0 =x A ;

[0152] Differentiating equation 4, we get:

[0153] Equation 5: dT m / dt=(T mf -T m0 )*dx A / dt;

[0154] Because T mf and T m0 and Furthermore, we can also obtain the following from equation 4:

[0155] Equation 6: C A =C A0 *(T mf -T m ) / (T mf -T m0 ).

[0156] For a reaction such as A→B, the kinetic relationship can be expressed as:

[0157] Equation 7: r A =-dC A / dt=k*C A n

[0158] Where, r A C is the chemical reaction rate. A denoted as , where t is the concentration of the reactants, k is the reaction rate constant, and n is the reaction order.

[0159] Combining equations 6 and 7, we can derive the following equation:

[0160] Equation 8: -dC A / dt=C A0 / (T mf -T m0 )*dT m / dt;

[0161] This equation represents the relationship between the rate of temperature increase and the reaction rate.

[0162] Combining equations 8, 7, and 6, we can derive the following equation:

[0163] Equation 9: dT m / dt=(T mf -T m0 ) / C A0 *k*C A n

[0164] =(T mf -T m0 ) / C A0 *k*(C A0 *(T mf -T m ) / (T mf -T m0 )) n

[0165] =(C A0 / (T mf -T m0 )) n-1 *k*(T mf -T m ) n

[0166] =(C A0 / (T mf -T m0 )) n-1 *(T mf -T m ) n *A*exp(-E / (RT m ))

[0167] Where k represents the dynamic equation: k=A*exp(-E / (RT) m E represents activation energy, R is a constant, and T is a constant. m The reaction temperature is 1.

[0168] Combining equations 8 and 9, we can deduce that:

[0169] Equation 10:

[0170] From equations 5 and 9, we can obtain:

[0171] Equation 11: dx A / dt=C A0 n-1 *((T mf -T m ) / (T mf -T m0 )) n *A*exp(-E / (RT m ))

[0172] Because when the temperature approaches the initial heat release temperature, T m ≈T m0 Therefore, equation 9 can be transformed into

[0173] Equation 12: dT m0 / dt=CA0 n-1 *(T mf -T m0 )*k=C A0 n-1 *(T mf -T m0 )*A*exp(-E / (RT m0 ));

[0174] Therefore, regardless of the order of the reaction (where n is a given value), the activation energy of the reaction can be obtained from the following equation:

[0175] Equation 13: ln(dT) m0 / dt)=ln(C A0 n-1 *(T mf -T m0 )*A)-E / (RT m0 );

[0176] From the meaning of Equation 8, we know that at the maximum reaction rate, the derivative of the exothermic rate is 0. Therefore, we can derive the following equation from Equation 9:

[0177] Equation 14: d(dT) mm / dt) / dt=(C A0 / (T mf -T m0 )) n-1 *d(k*(T mf -T mm ) n ) / dt=0

[0178] Among them, T mm This represents the temperature at which the reaction rate is at its maximum.

[0179] Therefore, we can obtain

[0180] Equation 15: k*E / (RT) mm 2 )*(T mf -T mm ) n *(dT mm / dt)-k*n*(T mf -T mm ) n-1 *(dT mm / dt)=0

[0181] Equation 15 has two solutions, which are:

[0182] Equation 16: E / (RT) mm 2 )*(Tmf -T mm )-n=0 or nRT mm 2 -ET mm -ET mf =0;

[0183] Therefore, the reaction order n and T mm This can be obtained from the following equation:

[0184] Equation 17: n = (E / R) * (T) mf -T mm ) / T mm 2

[0185] Equation 18:

[0186] The time to reach the maximum reaction rate can be based on the following equation, therefore:

[0187] Equation 19: ln(TMR) = -lnk = E / (RT) - lnA;

[0188] There are three models that can calculate the time required for a decomposition reaction to reach its maximum reaction rate (TMR).

[0189] From Equation 9, we can obtain the following for the nth-order model:

[0190] Equation 20: ln((dT) m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m );

[0191] For level 0 models, there are

[0192] Equation 21: dT m / dt=A*exp(-E / (RT m ));

[0193] For an n-level model simulated using a level 0 model

[0194] Equation 22: dT m / dt=(T mf -T m0 ) / C A0 *A*exp(-E / (RT m ));

[0195] Using the measured Derivation of data dynamics

[0196] Equation 24:

[0197] in, express adiabatic temperature rise, express adiabatic temperature rise, T Af and T A0 They represent The termination temperature and the initiation temperature of heat release, T mf and T m0 They represent The termination temperature and the initiation temperature of heat release.

[0198] From equation 12, we can deduce...

[0199] Equation 25:

[0200] Equation 26:

[0201] Because the rate of temperature rise under the same testing conditions is

[0202] Equation 27:

[0203] Combining equations 25, 26, and 27, we can deduce...

[0204] Equation 28: (T mf -T m0 )*exp(-E / (RT m0 ))=(T Af -T A0 )*exp(-E / (RT A0 ));

[0205] Equation 29:

[0206] Therefore, for the calibration of the starting temperature (from Calibrate to )

[0207] Equation 30:

[0208] For calibration of the starting temperature ( But not at the same time, for example Corrected to ), may have

[0209] Equation 31:

[0210] Under the same correction conditions:

[0211] Equation 32:

[0212] Equation 33:

[0213] T was measured under conditions of equal reactant A concentration. m and T A From equation 9, combined with equations 25 and 26, we can deduce that:

[0214] Equation 34:

[0215] Equation 35:

[0216] The beneficial effects of this application are as follows: By conducting ARC experiments on the test substance to obtain multiple sets of exothermic curves for the test substance, and determining multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves, when the multiple sets of kinetic factors are all different, multiple sets of ARC fitting curves corresponding to the multiple sets of kinetic factors when the thermal inertia is a preset value are determined. The multiple sets of ARC fitting curves are compared with the VSP fitting curve corresponding to the test substance. Based on the comparison results, the ARC fitting curve that is closest to the VSP fitting curve corresponding to the test substance is selected from the multiple sets of ARC fitting curves as the target ARC fitting curve. The target kinetic formula corresponding to the target ARC fitting curve is determined, and the target kinetic formula is used as the kinetic formula corresponding to the test substance. Since this application first applies the ARC test results to fit the kinetic formula, and then uses VSP to verify the kinetics obtained from the ARC experiment, selecting the most accurate thermodynamic fitting result, the accuracy of the ARC kinetic results can be improved, and the matching accuracy between the kinetic formula and the actual industrial control scheme can be improved.

[0217] In one embodiment, step S101 above can be implemented as steps A1-A2 as follows:

[0218] In step A1, the ARC experimental results corresponding to the test material under various different thermal inertia are obtained;

[0219] In step A2, multiple sets of exothermic curves corresponding to the test substance under different thermal inertia are determined by the ARC experimental results corresponding to the test substance under different thermal inertia.

[0220] In one embodiment, step S102 above can be implemented as steps B1-B6 as follows:

[0221] In step B1, one set of exothermic curves is selected from the multiple sets of exothermic curves as the target exothermic curve;

[0222] In step B2, the preset heat release segment data corresponding to the target heat release curve is obtained, wherein the preset heat release segment data includes time, temperature and temperature rise rate;

[0223] In step B3, the calculated value of the reaction order is determined by the preset exothermic section data and the reaction order setting value;

[0224] In step B4, the calculated activation energy and the pre-exponential factor corresponding to the calculated reaction order are determined based on the calculated reaction order value.

[0225] In step B5, the calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order are determined as the kinetic factors corresponding to the target exothermic curve.

[0226] In step B6, after obtaining the kinetic factor corresponding to the target exothermic curve, the above steps are repeated until all exothermic curves are selected and the kinetic factors corresponding to all exothermic curves are obtained.

[0227] In one embodiment, step B3 above can be implemented as steps B31-B33:

[0228] In step B31, the reaction order setting value is substituted into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value;

[0229] In step B32, the candidate activation energy value is substituted into the second preset formula to determine the candidate reaction order value:

[0230] In step B33, when the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value, and the candidate reaction order obtained from the last iteration is used as the calculated reaction order value.

[0231] In one embodiment, the iterative operation performed on the candidate reaction order value in step B33 above until the difference between the assumed reaction order value and the candidate reaction order value is less than a set value can be implemented as steps B331-B334:

[0232] In step B331, the candidate values ​​of the reaction order are substituted into the first preset formula to obtain the candidate values ​​of the activation energy corresponding to the set value of the reaction order, wherein the first preset formula is as follows:

[0233] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m )

[0234] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mf The temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0235] In step B332, the candidate activation energy value is substituted into the following second preset formula to determine a new candidate reaction order value:

[0236] n′=E / R*(T mf -T m ) / T mm 2

[0237] Where n′ is a candidate value for the reaction order; E is the activation energy; R is the gas constant; T mf The temperature at the final point where heat release ends, in K; T mm This is the temperature at which the reaction rate is at its maximum.

[0238] In step B333, the difference between the assumed reaction order and the candidate reaction order is compared;

[0239] In step B334, when the difference between the assumed reaction order and the candidate reaction order is greater than a set value, the currently obtained candidate reaction order is repeatedly substituted into the first preset formula to repeatedly obtain a new candidate activation energy, and the new candidate activation energy is repeatedly substituted into the second preset formula to repeatedly obtain a new candidate reaction order, until the difference between the assumed reaction order and the newly obtained candidate reaction order is less than the set value.

[0240] In one embodiment, step S103 above can be implemented as steps C1-C2 as follows:

[0241] In step C1, the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value are determined for the multiple sets of kinetic factors respectively.

[0242] In step C2, based on the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value, corresponding to the multiple sets of kinetic factors, multiple sets of ARC fitting curves are plotted when the thermal inertia is the preset value.

[0243] In one embodiment, determining the target dynamics formula corresponding to the target ARC fitting curve in step S106 above can be implemented as follows: steps D1-D2:

[0244] In step D1, the dynamic factor corresponding to the target ARC fitting curve is determined;

[0245] In step D2, the dynamic factor is substituted into the following third preset formula to obtain the target dynamic formula:

[0246] r = A * exp(-E / (RT)) * C A n

[0247] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0248] In a specific embodiment of this application, the test substance used is a 30% hydrogen peroxide aqueous solution (hydrogen peroxide). According to the literature, the heat of reaction δH for the complete reaction of 30% hydrogen peroxide is 8*104J / mol.

[0249] 1) Take three test balls made of 304 stainless steel, with masses of 12.10g, 12.15g, and 12.25g respectively. Label these three test balls as test balls ①, ②, and ③. Add 2.73g, 1.37g, and 0.92g of hydrogen peroxide to these balls respectively for testing. [The text then repeats the last sentence, "Sort the test balls ①, ②, and ③..."] The values ​​were 1.5, 2, and 2.5 respectively. These three test spheres underwent normal ARC testing, with a test temperature range of 20℃-300℃, a maximum pressure setting of 150 bar, and other settings using the instrument's default settings. Figure 2A , Figure 2B and Figure 2C The figures shown are the heat release curves of temperature and time for the three test results ①, ②, and ③ in this embodiment.

[0250] After processing the three sets of data and performing regression analysis using mathematical methods, the kinetic expression for the thermal decomposition of 30% hydrogen peroxide was obtained as follows:

[0251] r = A0 * exp(-E / (R0T2)) * C A n .

[0252] Where A0 is the pre-exponential factor, A0 = 1.25 * 10¹³, and the unit is min. -1 ;

[0253] E is the activation energy, E = 1 * 10⁵, and the unit is J / mol;

[0254] R0 is the thermodynamic constant, R0 = 8.314, and the unit is J / (mol*K);

[0255] C A This represents the concentration of the reactant (hydrogen peroxide), expressed in mol / ml.

[0256] n is the reaction order, which is 1; T2 is the reaction temperature.

[0257] 2) A VSP2 test cell made of 304 stainless steel was used for the VSP2 experiment. The test cell weighed 110.50g, and 62.38g of hydrogen peroxide was added to it for testing. The value is 1.2, the test temperature range is 20℃-300℃, the upper pressure limit is set to 150 bar, and the remaining settings are set according to the instrument's default settings. Figure 3 As shown, this is the exothermic curve of temperature and time in the VSP2 test results of this experiment.

[0258] After processing the experimental data, it showed good agreement with the kinetic results given by the ARC test. Therefore, the kinetics were applied to optimize the operation of the 30% hydrogen peroxide quenching tank of the existing device.

[0259] In one specific application of this embodiment, an old reactor from an existing device needs to be reused. The reactor is a known reactor with a stirring mechanism and a total volume of 33m³. 3 The reactor has a mass of 80 tons. It contains an internal coil for heat transfer, with the coil extended to 50% of the liquid level (at which point the volume is approximately 14.5 m³). 3 (The coil occupies a certain volume). Cooling water is circulated through the inner coil for heat transfer. The inlet temperature is 15℃ and the outlet temperature is 25℃. The flow rate of the cooling water can be determined by combining the thermal decomposition kinetics of hydrogen peroxide to formulate a control scheme for the hydrogen peroxide thermal quenching reactor. The method is as follows:

[0260] ①Assuming the hydrogen peroxide level is controlled at 50% and completely submerges the heating pipe, then the mass of hydrogen peroxide in the reactor at this time is Ms = 14.5 (m³). 3 )*1.11*103 (Density of 30% hydrogen peroxide: kg / m³) 3 ) = 1.6095 * 10⁴ kg

[0261] ② When the reactor is filled with hydrogen peroxide at 50% liquid level, the system

[0262] It can be seen that the deviation from the experiment is not significant.

[0263] ③ From the material balance, we know that: dCA(t) / dt=A0*exp(-E / (R0T2))*CA(t)

[0264] Where CA(t) represents the concentration of reactants at different times and is a function of time t.

[0265] ④ As can be seen from the energy balance:

[0266] Where m(t) is the flow rate of cooling water at different times, and is a function of time t; V r The volume of reactants is Δt, which is the volume of hydrogen peroxide in this case. Δt is the temperature difference between the inlet and outlet of the cooling water.

[0267] The control scheme involves a constant temperature setting to maintain the reactor temperature at a constant temperature of T2 = 30℃. pw Let be the specific heat capacity of water, which is 4.2 J / (g*K), and δt = 10℃. Based on the above data, the differential equation can be solved to obtain the cooling water flow control scheme. For example... Figure 4 The diagram shown is a schematic diagram of the cooling water flow control results of this application.

[0268] Figure 5 This is a schematic diagram of a dynamic formula acquisition device according to an embodiment of this application, as shown below. Figure 5 As shown, it includes:

[0269] Experimental module 501 is used to perform ARC experiments on the test substance to obtain multiple sets of exothermic curves of the test substance;

[0270] The first determining module 502 is used to determine the multiple sets of kinetic factors corresponding to the multiple sets of heat release curves;

[0271] The second determining module 503 is used to determine the multiple ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value, when the multiple sets of dynamic factors are all different.

[0272] The comparison module 504 is used to compare the multiple sets of ARC fitting curves with the VSP fitting curves corresponding to the substance to be tested.

[0273] The selection module 505 is used to select, based on the comparison results, the set of ARC fitting curves that are closest to the VSP fitting curve corresponding to the substance to be tested from the multiple sets of ARC fitting curves as the target ARC fitting curve.

[0274] The third determining module 506 is used to determine the target kinetic formula corresponding to the target ARC fitting curve, and to use the target kinetic formula as the kinetic formula corresponding to the substance to be tested.

[0275] In one embodiment, the experimental module includes:

[0276] The acquisition submodule is used to acquire the ARC experimental results of the test material under various different thermal inertia conditions.

[0277] The first determining submodule is used to determine multiple sets of exothermic curves corresponding to the test substance under different thermal inertia based on the ARC experimental results corresponding to the test substance under different thermal inertia.

[0278] In one embodiment, the first determining module includes:

[0279] A selection submodule is used to select one set of exothermic curves from the multiple sets of exothermic curves as the target exothermic curve.

[0280] The acquisition submodule is used to acquire the preset heat release segment data corresponding to the target heat release curve, wherein the preset heat release segment data includes time, temperature and temperature rise rate;

[0281] The second determining submodule is used to determine the calculated value of the reaction order through the preset exothermic section data and the reaction order setting value;

[0282] The calculation submodule is used to determine the activation energy calculation value corresponding to the reaction order calculation value and the pre-exponential factor corresponding to the reaction order calculation value based on the reaction order calculation value.

[0283] The third determining submodule is used to determine the calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order as the kinetic factor corresponding to the target exothermic curve;

[0284] The stop submodule is used to repeatedly execute the above steps after obtaining the kinetic factor corresponding to the target exothermic curve, until all exothermic curves have been selected and the kinetic factors corresponding to all exothermic curves have been obtained.

[0285] In one embodiment, the second determining submodule is further configured to:

[0286] Substitute the reaction order setting value into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value;

[0287] Substitute the candidate activation energy value into the second preset formula to determine the candidate reaction order value:

[0288] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value, and the candidate reaction order obtained from the last iteration is used as the calculated reaction order value.

[0289] In one embodiment, the iterative operation on the candidate reaction order values ​​continues until the difference between the assumed reaction order value and the candidate reaction order value is less than a set value, including...

[0290] Substituting the candidate values ​​of the reaction order into the first preset formula, we obtain the candidate values ​​of the activation energy corresponding to the set value of the reaction order. The first preset formula is as follows:

[0291] ln((dT m / dt) / (T mf -T m ) n )=(n-1)ln(C A0 / (T mf -T m0 ))+lnA-E / (RT m )

[0292] Among them, T m Temperatures at different times during the heat release phase, in K; T m0 The temperature at the moment of initial heat release, in K; T mf The temperature at the final point where heat release ends, in Kelvin (K); C. A0 The initial concentration of the substance is expressed in mol / m³; E is the activation energy; and R is the gas constant.

[0293] Substitute the candidate activation energy value into the following second preset formula to determine a new candidate reaction order value:

[0294] n′=E / R*(T mf -T m ) / T mm 2

[0295] Where n′ is a candidate value for the reaction order; E is the activation energy; R is the gas constant; T mf The temperature at the final point where heat release ends, in K; T mm This is the temperature at which the reaction rate is at its maximum.

[0296] Compare the difference between the assumed reaction order and the candidate reaction order;

[0297] When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, the currently obtained candidate reaction order is repeatedly substituted into the first preset formula to repeatedly obtain a new candidate activation energy, and the new candidate activation energy is repeatedly substituted into the second preset formula to repeatedly obtain a new candidate reaction order, until the difference between the assumed reaction order and the newly obtained candidate reaction order is less than the set value.

[0298] In one embodiment, the second determining module includes:

[0299] The fourth determining submodule is used to determine the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate when the thermal inertia is the preset value, respectively, corresponding to the multiple sets of kinetic factors.

[0300] The plotting submodule is used to plot multiple ARC fitting curves with thermal inertia at the preset value based on the temperature rise rate, initial heat release temperature, all heat release temperatures in the heat release section, and temperature rise rate with thermal inertia at the preset value corresponding to the multiple sets of kinetic factors.

[0301] In one embodiment, the third determining module includes:

[0302] The fifth determining submodule is used to determine the dynamic factor corresponding to the target ARC fitting curve;

[0303] The substitution submodule is used to substitute the dynamic factors into the following third preset formula to obtain the target dynamic formula:

[0304] r = A * exp(-E / (RT)) * C A n

[0305] Where r is the chemical reaction rate; A is the pre-exponential factor of the reaction constant; E is the activation energy; R is the gas constant; and T is the reaction temperature.

[0306] Figure 6 This is a schematic diagram of the hardware structure of a dynamic formula acquisition system according to an embodiment of this application, as shown below. Figure 6 As shown, the dynamic formula acquisition system includes:

[0307] At least one processor 620; and,

[0308] Memory 604 communicatively connected to the at least one processor 620; wherein,

[0309] The memory 604 stores instructions that can be executed by the at least one processor 620 to implement the dynamic formula acquisition method described in any of the above embodiments.

[0310] Reference Figure 6 The dynamic formula acquisition system 600 may include one or more of the following components: processing component 602, memory 604, power supply component 606, multimedia component 608, audio component 610, input / output (I / O) interface 612, sensor component 614, and communication component 616.

[0311] Processing component 602 typically controls the overall operation of the dynamic formula acquisition system 600. Processing component 602 may include one or more processors 620 to execute instructions to complete all or part of the steps of the method described above. Furthermore, processing component 602 may include one or more modules to facilitate interaction between processing component 602 and other components. For example, processing component 602 may include a multimedia module to facilitate interaction between multimedia component 608 and processing component 602.

[0312] Memory 604 is configured to store various types of data to support the operation of the dynamic formula acquisition system 600. Examples of this data include instructions for any application or method operating on the dynamic formula acquisition system 600, such as text, images, videos, etc. Memory 604 can be implemented by any type of volatile or non-volatile storage device or a combination thereof, such as static random access memory (SRAM), electrically erasable programmable read-only memory (EEPROM), erasable programmable read-only memory (EPROM), programmable read-only memory (PROM), read-only memory (ROM), magnetic storage, flash memory, magnetic disk, or optical disk.

[0313] Power supply component 606 provides power to the various components of the kinetic formula acquisition system 600. Power supply component 606 may include a power management system, one or more power supplies, and other components associated with generating, managing, and distributing power to the kinetic formula acquisition system 600.

[0314] The multimedia component 608 includes a screen that provides an output interface between the kinetic formula acquisition system 600 and the user. In some embodiments, the screen may include a liquid crystal display (LCD) and a touch panel (TP). If the screen includes a touch panel, the screen may be implemented as a touchscreen to receive input signals from the user. The touch panel includes one or more touch sensors to sense touches, swipes, and gestures on the touch panel. The touch sensors may sense not only the boundaries of touch or swipe actions but also the duration and pressure associated with the touch or swipe operation. In some embodiments, the multimedia component 608 may also include a front-facing camera and / or a rear-facing camera. When the kinetic formula acquisition system 600 is in an operating mode, such as a shooting mode or a video mode, the front-facing camera and / or the rear-facing camera may receive external multimedia data. Each front-facing camera and rear-facing camera may be a fixed optical lens system or have focal length and optical zoom capabilities.

[0315] Audio component 610 is configured to output and / or input audio signals. For example, audio component 610 includes a microphone (MIC) configured to receive external audio signals when the kinetic formula acquisition system 600 is in an operating mode, such as alarm mode, recording mode, voice recognition mode, and voice output mode. The received audio signals may be further stored in memory 604 or transmitted via communication component 616. In some embodiments, audio component 610 also includes a speaker for outputting audio signals.

[0316] I / O interface 612 provides an interface between processing component 602 and peripheral interface modules, such as keyboards, click wheels, buttons, etc. These buttons may include, but are not limited to, home buttons, volume buttons, power buttons, and lock buttons.

[0317] Sensor assembly 614 includes one or more sensors for providing state assessments of various aspects of the kinetic calculation acquisition system 600. For example, sensor assembly 614 may include a sound sensor. Additionally, sensor assembly 614 can detect the on / off state of the kinetic calculation acquisition system 600, the relative positioning of components (e.g., the display and keypad of the kinetic calculation acquisition system 600), and the operating state of the kinetic calculation acquisition system 600 or a component thereof, such as the operating state of the air distribution plate, structural state, the operating state of the discharge scraper, etc., the orientation or acceleration / deceleration of the kinetic calculation acquisition system 600, and temperature changes of the kinetic calculation acquisition system 600. Sensor assembly 614 may include a proximity sensor configured to detect the presence of nearby objects without any physical contact. Sensor assembly 614 may also include a light sensor, such as a CMOS or CCD image sensor, for use in imaging applications. In some embodiments, sensor assembly 614 may also include an accelerometer, a gyroscope, a magnetometer, a pressure sensor, a material buildup thickness sensor, or a temperature sensor.

[0318] Communication component 616 is configured to enable the kinetic formula acquisition system 600 to provide wired or wireless communication capabilities with other devices and cloud platforms. The kinetic formula acquisition system 600 can access wireless networks based on communication standards, such as WiFi, 2G, or 3G, or combinations thereof. In one exemplary embodiment, communication component 616 receives broadcast signals or broadcast-related information from an external broadcast management system via a broadcast channel. In one exemplary embodiment, communication component 616 also includes a near-field communication (NFC) module to facilitate short-range communication. For example, the NFC module may be implemented based on radio frequency identification (RFID) technology, Infrared Data Association (IrDA) technology, ultra-wideband (UWB) technology, Bluetooth (BT) technology, and other technologies.

[0319] In an exemplary embodiment, the dynamic formula acquisition system 600 may be implemented by one or more application-specific integrated circuits (ASICs), digital signal processors (DSPs), digital signal processing devices (DSPDs), programmable logic devices (PLDs), field-programmable gate arrays (FPGAs), controllers, microcontrollers, microprocessors, or other electronic components to perform the dynamic formula acquisition method described in any of the above embodiments.

[0320] This application also provides a computer-readable storage medium, which, when the instructions in the storage medium are executed by the processor corresponding to the dynamic formula acquisition system, enables the dynamic formula acquisition system to implement the dynamic formula acquisition method described in any of the above embodiments.

[0321] Those skilled in the art will understand that embodiments of this application can be provided as methods, systems, or computer program products. Therefore, this application can take the form of a completely hardware embodiment, a completely software embodiment, or an embodiment combining software and hardware aspects. Furthermore, this application can take the form of a computer program product implemented on one or more computer-usable storage media (including, but not limited to, disk storage and optical storage) containing computer-usable program code.

[0322] This application is described with reference to flowchart illustrations and / or block diagrams of methods, apparatus (systems), and computer program products according to embodiments of this application. It will be understood that each block of the flowchart illustrations and / or block diagrams, and combinations of blocks in the flowchart illustrations and / or block diagrams, can be implemented by computer program instructions. These computer program instructions can be provided to a processor of a general-purpose computer, special-purpose computer, embedded processor, or other programmable data processing apparatus to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing apparatus, generate instructions for implementing the flowchart... Figure 1 One or more processes and / or boxes Figure 1 A device that provides the functions specified in one or more boxes.

[0323] These computer program instructions may also be stored in a computer-readable storage medium that can direct a computer or other programmable data processing device to function in a particular manner, such that the instructions stored in the computer-readable storage medium produce an article of manufacture including instruction means, which are implemented in a process Figure 1 One or more processes and / or boxes Figure 1 The function specified in one or more boxes.

[0324] These computer program instructions may also be loaded onto a computer or other programmable data processing equipment to cause a series of operational steps to be performed on the computer or other programmable equipment to produce a computer-implemented process, thereby providing instructions that execute on the computer or other programmable equipment for implementing the process. Figure 1 One or more processes and / or boxes Figure 1 The steps of the function specified in one or more boxes.

[0325] Obviously, those skilled in the art can make various modifications and variations to this application without departing from the spirit and scope of this application. Therefore, if such modifications and variations fall within the scope of the claims of this application and their equivalents, this application also intends to include such modifications and variations.

Claims

1. A method for obtaining dynamic formulas, characterized in that, include: An ARC experiment was performed on the test substance to obtain multiple sets of exothermic curves for the test substance; Determine the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves; When the multiple sets of dynamic factors are all different, determine the multiple ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value; The multiple sets of ARC fitting curves are compared with the VSP fitting curves corresponding to the analyte. Based on the comparison results, the ARC fitting curve that is closest to the VSP fitting curve corresponding to the substance to be tested is selected from the multiple sets of ARC fitting curves as the target ARC fitting curve. Determine the target kinetic formula corresponding to the target ARC fitting curve, and use the target kinetic formula as the kinetic formula corresponding to the substance to be tested; Multiple ARC fitting curves corresponding to multiple sets of kinetic factors when the thermal inertia is determined to be at a preset value, including: Based on the initial heat release temperature, heat release section temperature, temperature rise rate, and thermal inertia corresponding to the multiple sets of kinetic factors, the experimental data under non-preset thermal inertia conditions are corrected to the data under preset thermal inertia conditions through the following steps: According to the formula Determine the initial heat release temperature under the preset thermal inertia conditions. ,in, R is the temperature at the initial exothermic point, R is the gas constant, and E is the activation energy. Thermal inertia; According to the formula Determine the temperature of the heat release section under the preset thermal inertia conditions. ,in, The initial heat release temperature, These represent the temperatures at different times during the heat release phase. According to the formula = Determine the rate of temperature rise under the preset thermal inertia conditions. for The rate of temperature rise when =1, For the present Temperature rise rate at the specified value; According to the above , as well as Plot the ARC fitting curve when the thermal inertia is the preset value.

2. The method as described in claim 1, characterized in that, An ARC experiment was performed on the test substance to obtain multiple sets of exothermic curves, including: Obtain the ARC experimental results for the test material under various different thermal inertia conditions; The multiple sets of exothermic curves corresponding to the test substance under different thermal inertia were determined by using the ARC experimental results of the test substance under different thermal inertia.

3. The method as described in claim 1, characterized in that, The determination of the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves includes: Select one set of exothermic curves from the multiple sets of exothermic curves as the target exothermic curve; Obtain the preset heat release segment data corresponding to the target heat release curve, wherein the preset heat release segment data includes time, temperature and temperature rise rate; The calculated value of the reaction order is determined by the preset exothermic section data and the reaction order setting value; Based on the calculated reaction order, determine the calculated activation energy and the pre-exponential factor corresponding to the calculated reaction order; The calculated value of the reaction order, the calculated value of the activation energy corresponding to the calculated value of the reaction order, and the pre-exponential factor corresponding to the calculated value of the reaction order are determined as the kinetic factors corresponding to the target exothermic curve; Once the kinetic factor corresponding to the target exothermic curve is obtained, the above steps are repeated until all exothermic curves are selected and the kinetic factors corresponding to all exothermic curves are obtained.

4. The method as described in claim 3, characterized in that, The step of determining the calculated reaction order value using the preset exothermic section data and the reaction order set value includes: Substitute the reaction order setting value into the first preset formula to obtain the activation energy candidate value corresponding to the reaction order setting value; Substitute the candidate activation energy value into the second preset formula to determine the candidate reaction order value: When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, an iterative operation is performed on the candidate reaction order until the difference between the assumed reaction order and the candidate reaction order is less than the set value, and the candidate reaction order obtained from the last iteration is used as the calculated reaction order value.

5. The method as described in claim 4, characterized in that, The iterative operation on the candidate reaction order values ​​continues until the difference between the assumed reaction order value and the candidate reaction order value is less than a set value, including... Substituting the candidate values ​​of the reaction order into the first preset formula, we obtain the candidate values ​​of the activation energy corresponding to the set value of the reaction order. The first preset formula is as follows: in, These represent the temperatures at different times during the heat release phase, expressed in Kelvin (K). The temperature at the moment when heat release begins, in K; The temperature at the moment when the final heat release ends, in K; The initial concentration of the substance, in mol / m3; It is the activation energy; It is the gas constant; Substitute the candidate activation energy value into the following second preset formula to determine the new candidate reaction order value: in, Candidate values ​​for reaction order; It is the activation energy; It is the gas constant; The temperature at the moment when the final heat release ends, in K; This is the temperature at which the reaction rate is at its maximum. Compare the difference between the assumed reaction order and the candidate reaction order; When the difference between the assumed reaction order and the candidate reaction order is greater than a set value, the currently obtained candidate reaction order is repeatedly substituted into the first preset formula to repeatedly obtain a new candidate activation energy, and the new candidate activation energy is repeatedly substituted into the second preset formula to repeatedly obtain a new candidate reaction order, until the difference between the assumed reaction order and the newly obtained candidate reaction order is less than the set value.

6. The method as described in claim 1, characterized in that, The method for determining the target dynamics formula corresponding to the target ARC fitting curve includes: Determine the dynamic factor corresponding to the target ARC fitting curve; Substituting the dynamic factors into the following third preset formula, the target dynamic formula is obtained: in, It refers to the rate of a chemical reaction; It is a pre-exponential factor for the reaction constant; It is the activation energy; It is the gas constant; The reaction temperature is 1.

7. A dynamic formula acquisition device, used in the dynamic formula acquisition method as described in any one of claims 1-6, characterized in that, include: The experimental module is used to perform ARC experiments on the test substance to obtain multiple sets of exothermic curves of the test substance; The first determining module is used to determine the multiple sets of kinetic factors corresponding to the multiple sets of exothermic curves; The second determining module is used to determine the multiple ARC fitting curves corresponding to the multiple sets of dynamic factors when the thermal inertia is a preset value, when the multiple sets of dynamic factors are all different. The comparison module is used to compare the multiple sets of ARC fitting curves with the VSP fitting curves corresponding to the substance to be tested; The selection module is used to select, based on the comparison results, the set of ARC fitting curves that is closest to the VSP fitting curve corresponding to the substance to be tested from the multiple sets of ARC fitting curves as the target ARC fitting curve. The third determining module is used to determine the target kinetic formula corresponding to the target ARC fitting curve, and to use the target kinetic formula as the kinetic formula corresponding to the substance to be tested.

8. A system for obtaining dynamic formulas, characterized in that, include: At least one processor; as well as, A memory communicatively connected to the at least one processor; wherein, The memory stores instructions that can be executed by the at least one processor to implement the dynamic formula acquisition method as described in any one of claims 1-6.

9. A computer-readable storage medium, characterized in that, When the instructions in the storage medium are executed by the processor corresponding to the dynamic formula acquisition system, the dynamic formula acquisition system is able to implement the dynamic formula acquisition method as described in any one of claims 1-6.

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