Tobacco leaf baking carbon emission source tracking method and device for mixed fuel

Abstract

The invention discloses a tobacco leaf baking carbon emission source tracking method and device for mixed fuel, and relates to the technical field of carbon emission tracking, and the method comprises the steps: modeling each fuel molecule in the mixed fuel; constructing an initial combustion oxygen supply environment of the mixed fuel system; force field parameters are given to the modeled mixed fuel system, and carbon atoms of different types of fuel molecules are marked; performing molecular dynamics simulation of a combustion process on the mixed fuel system; and judging the credibility of the simulation result relative to the real combustion process, if the simulation result is not credible, optimizing the fuel molecular model, the force field parameters and / or the reaction conditions, and if the simulation result is credible, tracking and analyzing the source of carbon atoms in the greenhouse gas generated by simulation. According to the method, modeling and analysis are carried out on the carbon emission process from the microscopic level, and the migration path and conversion behavior of carbon atoms can be accurately tracked at the molecular level.

Description

Technical Field

[0001] The present invention relates to the field of carbon emission tracking technology, and in particular to a method and device for tracking the source of carbon emissions from tobacco baking using mixed fuels. Background Art

[0002] Tobacco curing is a core step in tobacco processing, and its energy consumption and emissions directly impact the cleanliness and sustainability of the production process. Traditional curing methods primarily rely on single fuels such as coal and biomass. These energy sources release large amounts of greenhouse gases during combustion and are the primary source of carbon emissions in the tobacco industry. In recent years, with the development of clean energy technologies, a variety of new energy sources (such as alcohol-based fuels, biomass, and natural gas) have been gradually incorporated into tobacco curing, and attempts have been made to improve thermal efficiency and reduce emissions by co-firing multiple energy sources.

[0003] However, current research on the carbon emissions and reaction behavior of multi-fuel co-combustion during tobacco curing remains limited. While new energy fuels (such as biomass, alcohol-based fuels, and natural gas) offer theoretical advantages in reducing pollution emissions, in practice, the coupling effects between different fuels are complex, and systematic mechanistic analysis and carbon conversion studies are lacking. Traditional research has focused on macro-level thermal efficiency and emissions measurements, failing to reveal the impact of fuel molecular structure on reaction pathways and carbon release mechanisms at the microscopic scale. Furthermore, existing assessment methods generally employ life cycle assessment (LCA) methods. While this method can assess environmental burdens from a holistic perspective, it lacks insight into the microscopic reactions during the combustion phase. In particular, in multi-fuel co-combustion scenarios, the mechanisms by which different fuels influence reaction kinetics and carbon emission behavior remain largely unexplored. Furthermore, most current research is limited to analyzing the combustion characteristics of a single energy source, lacking the ability to model and quantitatively assess the interaction mechanisms of mixed fuels during dynamic combustion. Particularly in the current trend toward energy diversification, scientifically analyzing the synergistic effects of different fuel combinations, optimizing combustion ratios, and reducing carbon emissions has become a major bottleneck hindering the tobacco industry's green and low-carbon transition.

[0004] Therefore, there is an urgent need to propose a method that can track the reaction paths of carbon atoms from different sources and accurately quantify the carbon emission characteristics and reaction rate changes during the co-combustion of multiple fuels, so as to evaluate the carbon emission potential and environmental impact differences and promote the development of green and low-carbon tobacco processing technology. Summary of the Invention

[0005] In view of the above-mentioned defects or deficiencies in the prior art, the present invention provides a method and device for tracing the sources of carbon emissions from tobacco baking using mixed fuels to solve the above-mentioned technical problems mentioned in the background technology.

[0006] One aspect of the present invention provides a method for tracing the sources of carbon emissions from tobacco leaf curing using mixed fuels, comprising the following steps:

[0007] Obtaining carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and modeling each fuel molecule based on the carbon chain skeleton structure information and main functional group information;

[0008] Each fuel molecule is mixed in a preset ratio in the simulation space, and oxygen molecules are introduced into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system;

[0009] Assign force field parameters to the modeled mixed fuel system and label the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources;

[0010] Perform molecular dynamics simulations of the combustion process of the mixed fuel system and output periodic atomic coordinates and bonding information as simulation results;

[0011] The credibility of the simulation results relative to the actual combustion process is determined. If the simulation results are not credible, the fuel molecular model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the source of the carbon atoms in the greenhouse gases generated by the molecular dynamics simulation is tracked and analyzed.

[0012] Another aspect of the present invention provides a device for tracing carbon emission sources from tobacco leaf baking using mixed fuels, comprising:

[0013] a molecular model building module configured to obtain carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and model each fuel molecule based on the carbon chain skeleton structure information and main functional group information;

[0014] an initial combustion oxygen supply environment construction module configured to mix each fuel molecule in a preset ratio in a simulation space and introduce oxygen molecules into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system;

[0015] The force field assignment and atom labeling module is configured to assign force field parameters to the modeled mixed fuel system and label the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources;

[0016] A molecular dynamics simulation module is configured to perform a molecular dynamics simulation of the combustion process of the mixed fuel system and output periodic atomic coordinates and bonding information as simulation results;

[0017] The carbon source tracking module is configured to determine the credibility of the simulation results relative to the actual combustion process. If the simulation results are not credible, the fuel molecular model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the source of the carbon atoms in the greenhouse gases generated by the molecular dynamics simulation is tracked and analyzed.

[0018] The method and device for tracing the source of carbon emissions from tobacco baking with mixed fuels provided by the present invention introduce molecular dynamics simulation and atomic labeling to model and analyze the carbon emission process at the microscopic level. It can accurately track the migration path and conversion behavior of carbon atoms at the molecular level, significantly improving the depth of understanding of the reaction mechanism of mixed fuels. The present invention can clearly distinguish the reaction trajectories and product attribution of carbon atoms from different sources, thereby realizing visual identification and quantitative evaluation of the source of carbon emissions. At the same time, the present invention is widely adaptable to a variety of fuel types and different combustion conditions, and has strong parameter control capabilities and the ability to reproduce the reaction process of complex systems, effectively making up for the shortcomings of existing methods in refined analysis. BRIEF DESCRIPTION OF THE DRAWINGS

[0019] Other features, objects and advantages of the present application will become more apparent upon reading the detailed description of non-limiting embodiments made with reference to the following drawings:

[0020] Figure 1 This is a flow chart of a method for tracing carbon emission sources for tobacco leaf curing using mixed fuels provided in one embodiment of the present application;

[0021] Figure 2 This is a schematic diagram of a device for tracking carbon emissions from tobacco leaf baking using mixed fuels, provided in one embodiment of the present application;

[0022] Figure 3 This is a schematic diagram of the structure of an electronic device provided by an embodiment of the present application. DETAILED DESCRIPTION

[0023] To make the objectives, technical solutions, and advantages of the embodiments of the present invention more clear, the technical solutions in the embodiments of the present invention will be clearly and completely described below in conjunction with the accompanying drawings of the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of the embodiments. All other embodiments obtained by ordinary technicians in this field based on the embodiments of the present invention without making any creative efforts shall fall within the scope of protection of the present invention.

[0024] The terms used in the embodiments of the present invention are only for the purpose of describing specific embodiments and are not intended to limit the present invention. The singular forms "a", "the" and "the" used in the embodiments of the present invention are also intended to include plural forms, unless the context clearly indicates other meanings.

[0025] It should be understood that although the terms first, second, third, etc. may be used to describe the acquisition modules in the embodiments of the present invention, the acquisition modules should not be limited to these terms. These terms are only used to distinguish the acquisition modules from each other.

[0026] The word "if," as used herein, may be interpreted as "at the time of" or "when" or "in response to determining" or "in response to detecting," depending on the context. Similarly, the phrases "if it is determined" or "if (stated condition or event) is detected" may be interpreted as "when it is determined" or "in response to the determination" or "when detecting (stated condition or event)" or "in response to detecting (stated condition or event)," depending on the context.

[0027] It should be noted that the directional terms such as "upper," "lower," "left," and "right" described in the embodiments of the present invention are described from the perspectives shown in the accompanying drawings and should not be construed as limiting the embodiments of the present invention. Furthermore, in the context, it should be understood that when an element is referred to as being formed "on" or "under" another element, it can be formed not only directly "on" or "under" the other element, but also indirectly "on" or "under" the other element through an intermediate element.

[0028] To address the problem of insufficient understanding of the mixed combustion mechanism of multiple fuels in existing research, an embodiment of the present application provides a method for tracing the sources of carbon emissions from tobacco baking using mixed fuels. This method tracks the conversion process of carbon atoms in different fuels at the atomic scale, revealing their reaction behavior and carbon emission mechanism under high temperature conditions, thereby achieving an accurate assessment of the environmental impact of mixed fuels.

[0029] See also Figure 1 , the method of this embodiment includes the following steps:

[0030] Step S101 : obtaining carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and modeling each fuel molecule based on the carbon chain skeleton structure information and main functional group information.

[0031] This step is used to realize the construction and data processing of the fuel molecular system.

[0032] First, industrial and elemental analyses are performed on the mixed fuel sample to obtain the molecular formula of each fuel molecule in the mixed fuel and the proportion of the non-combustible portion of the fuel, thereby preparing for the thermogravimetric experiment. Subsequently, the carbon chain skeleton structure information of each fuel is obtained using techniques such as 13C-NMR, and the main functional group information of each fuel is obtained using techniques such as X-ray photoelectron spectroscopy. Based on the above information, molecular modification and modeling are performed based on the existing fuel model corresponding to each fuel molecule. For example, if the target fuel is coal fuel, the Wiser coal molecular model can be used as the basis for structural modification, but is not limited to it. If the target fuel is biomass fuel, the lignin model can be used as the construction framework, but is not limited to it.

[0033] Step S102 : Each fuel molecule is mixed in a simulation space according to a preset ratio, and oxygen molecules are introduced into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system.

[0034] Specifically, representative molecular structure models of coal and biomass are created in modeling software (such as Materials Studio). These two molecular structure models are then mixed in a molecular dynamics simulation space at a preset ratio (for example, using the Construction function in the Amorphous Cell module of Materials Studio) to simulate the fuel composition of the mixed fuel and construct an initial mixed system. O2 molecules are then introduced into the simulated mixed fuel system, filling the simulation space, thereby establishing the initial combustion oxygen supply environment for the mixed fuel system.

[0035] Step S103 : assigning force field parameters to the modeled mixed fuel system and marking the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources.

[0036] This step is used to implement force field assignment and atomic labeling of the modeled mixed fuel system.

[0037] Specifically, the initial configuration is the initial atomic arrangement, molecular position, molecular conformation, volume and topological structure of the molecular system established in three-dimensional space before the molecular dynamics simulation. To obtain a reasonable initial configuration, this step uses modeling software (for example, using the Forcite module of the Materials Studio tool to load a universal force field covering the entire periodic table) to assign force field parameters to the constructed mixed fuel system so that the atomic data file can be exported for subsequent calculations. The position assignment step is only used for the pre-adjustment of the intermolecular configuration, rather than using the universal force field for calculation. The force field used for the molecular dynamics simulation of the final combustion process is the ReaxFF molecular dynamics force field. After assigning the force field, the molecule selection function of the modeling software is used to select a certain type of fuel molecule model, for example: biomass fuel molecules, and then the atom selection function of the modeling software is further used to screen carbon atoms, and its element identification is set to a specific identification, for example, C1. Similarly, the molecule selection function of the modeling software is used to select other types of fuel molecule models, for example: coal fuel molecules, and then the atom selection function of the modeling software is further used to screen carbon atoms, and its element identification is set to, for example, C2. In addition, it is also feasible to use other labeling methods to distinguish carbon atoms in different types of molecules, which is not limited in this embodiment. In this way, the labeling of carbon atoms from different sources is achieved, which facilitates the subsequent differentiation of reaction pathways of different carbon sources.

[0038] Step S104 : performing molecular dynamics simulation of the combustion process on the mixed fuel system, and outputting periodic atomic coordinates and bonding information as simulation results.

[0039] First, to ensure that the data format generated by the modeling software can be understood by the molecular dynamics simulation software, the fuel mixture molecular model is exported from the modeling software and converted into a data format that can be recognized by molecular dynamics simulation software (such as LAMMPS). Next, to meet the computational requirements of the ReaxFF molecular dynamics force field, the bonding and non-bonding interaction parameters between the carbon atoms of the various types of fuel molecules in the fuel mixture and the five elements C, H, O, N, and S are added to the ReaxFF potential function to ensure that the reaction behavior of the carbon atoms of each type of fuel molecule is accurately processed during the molecular dynamics simulation.

[0040] The reaction kinetics of the fuel mixture were then simulated using the molecular dynamics force field module within molecular dynamics simulation software. For example, the temperature was set to 2500K, the time step was 0.1 fs, the simulation duration was set based on the reaction characteristics (e.g., at least 100 ps), and molecular relaxation was performed at the beginning to minimize energy. During the molecular dynamics simulation, periodic atomic coordinates and bonding information were output to capture the motion trajectories of carbon atoms and the reaction transformation paths throughout the combustion process.

[0041] Step S105, determining the credibility of the simulation results relative to the actual combustion process. If the simulation results are not credible, the fuel molecule model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the sources of carbon atoms in the greenhouse gases generated by the molecular dynamics simulation are tracked and analyzed.

[0042] In order to verify the credibility of the simulation results of the molecular dynamics force field, this step introduces a comparative analysis of experimental thermogravimetric analysis and reaction rate constants after the simulation is completed. Specifically:

[0043] First, the gaseous products, such as CO2, CO, CH4, and H2O, generated during the molecular dynamics simulation were extracted and their cumulative mass over time was calculated. The ratio of this value to the initial total mass of the fuel mixture was used to construct a first mass loss rate curve. A combustion temperature increase experiment was then conducted on the mixed sample using a thermogravimetric analyzer. The cumulative mass of the gaseous products generated during the actual combustion of the fuel mixture was calculated over time, and the ratio of this cumulative value to the initial total mass of the fuel mixture was used to construct a second mass loss rate curve.

[0044] Then, data on the time-varying production of typical gas products (such as CO2) are selected, and first-order kinetic fitting is performed on the first mass loss rate curve and the second mass loss rate curve, respectively, to calculate the apparent reaction rate constant. The consistency between the molecular dynamics simulation process and the actual combustion process is judged based on the apparent reaction rate constant.

[0045] Specifically, the combustion reaction is described by the following formula:

[0046]

[0047] Where t is the combustion time, k is the apparent reaction rate constant, n is the reaction order, and m is the reaction rate constant. l represents the weight loss mass fraction;

[0048]

[0049] Where m0 represents the initial weight of the mixed fuel sample, m t Represents the weight of the mixed fuel sample at time t, m e Represents the final weight of the mixed fuel sample.

[0050] Taking the logarithm of the above formula twice, we can get:

[0051] ln[-ln((100-m l ) / 100)]=nlnt+ln k

[0052] The above formula is fitted with a straight line by linear regression, and the slope of the straight line is taken as the reaction order n, and the intercept is taken as ln k, so as to calculate the apparent reaction rate constant k.

[0053] The kinetic parameters were calculated according to the Arrhenius equation:

[0054]

[0055] Where T represents the reaction temperature, k0 represents the pre-exponential factor, E represents the first activation energy during the molecular dynamics simulation, and R represents the gas constant, which is 8.314 kJ / (kmol·K).

[0056] by The first fitting line is obtained by linear fitting with ln k as the horizontal coordinate and ln k as the vertical coordinate. Calculate the first activation energy E during molecular dynamics simulation; calculate the second activation energy of the actual combustion process through thermogravimetric experimental data, and ln k is the second fitted straight line for the horizontal coordinate and ln k is the vertical coordinate. If the difference between the first activation energy and the second activation energy is within the preset threshold range, and the first fitted straight line and the second fitted straight line trend are consistent, it is shown that the molecular dynamics simulation process is consistent with the real combustion process, that is, the molecular dynamics simulation result is credible, and now the source of carbon atoms in the greenhouse gases generated by molecular dynamics simulation is traced and analyzed. If the difference between the first activation energy and the second activation energy is outside the preset threshold range, or the first fitted straight line and the second fitted straight line trend consistency is poor, it is shown that the molecular dynamics simulation process is not consistent with the real combustion process, that is, the molecular dynamics simulation result is untrustworthy, and now it is necessary to optimize the fuel molecule model, force field parameters and / or reaction conditions until the final molecular dynamics simulation process is consistent with the real combustion process.

[0057] Furthermore, an exemplary method for tracing and analyzing the sources of carbon atoms in greenhouse gases generated by molecular dynamics simulation is as follows: the dump file calculated by the molecular dynamics simulation software is imported into the open source visualization and data analysis software for visualization analysis, the molecular structure of the combustion simulation product and the type of carbon atom to which it belongs are identified through the Cluster Analysis tool, and the exported results are further input into the MATLAB tool for data processing and statistics. After quantitative analysis, it is determined how many carbon atoms from various types of fuel molecules are contained in CO2 and CO, respectively, thereby achieving atomic-level tracing of the carbon emission path.

[0058] The method of this embodiment introduces molecular dynamics simulation and atomic labeling to model and analyze the carbon emission process at the microscopic level, and can accurately track the migration path and transformation behavior of carbon atoms at the molecular level. In addition, this embodiment can clearly distinguish the reaction trajectories and product attribution of carbon atoms from different sources, thereby realizing the visual identification and quantitative assessment of the source of carbon emissions. At the same time, this embodiment is widely adaptable to various fuel types and different combustion conditions, has strong parameter control capabilities and the ability to reproduce the reaction process of complex systems, and can effectively make up for the shortcomings of existing methods in refined analysis.

[0059] See also Figure 2 Another embodiment of the present invention provides a device 200 for tracing carbon emission sources from tobacco leaf curing using mixed fuels, comprising a molecular model building module 201, an initial combustion oxygen supply environment building module 202, a force field assignment and atom labeling module 203, a molecular dynamics simulation module 204, and a carbon source tracing module 205. Device 200 is capable of executing the method for tracing carbon emission sources from tobacco leaf curing using mixed fuels described in the method embodiment.

[0060] Specifically, the device 200 for tracking carbon emission sources in tobacco leaf curing using mixed fuels includes:

[0061] The molecular model building module 201 is configured to obtain carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and model each fuel molecule based on the carbon chain skeleton structure information and main functional group information;

[0062] The initial combustion oxygen supply environment construction module 202 is configured to mix each fuel molecule in a preset ratio in the simulation space and introduce oxygen molecules into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system;

[0063] The force field assignment and atom labeling module 203 is configured to assign force field parameters to the modeled mixed fuel system and label the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources;

[0064] The molecular dynamics simulation module 204 is configured to perform a molecular dynamics simulation of the combustion process of the mixed fuel system and output periodic atomic coordinates and bonding information as simulation results;

[0065] The carbon source tracking module 205 is configured to determine the credibility of the simulation results relative to the actual combustion process. If the simulation results are not credible, the fuel molecular model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the source of the carbon atoms in the greenhouse gas generated by the molecular dynamics simulation is tracked and analyzed.

[0066] It should be noted that the device 200 for tracking carbon emission sources of mixed fuel tobacco baking provided in this embodiment corresponds to a technical solution that can be used to execute each method embodiment. Its implementation principle and technical effects are similar to the method and will not be repeated here.

[0067] See also Figure 3 Another embodiment of the present application further provides an electronic device 300 for implementing the method for tracing carbon emission sources from tobacco leaf curing using mixed fuels in the method embodiment. The electronic device 300 may include, but is not limited to, a terminal device or server such as a PC, PDA, smartphone, or laptop computer. Figure 3 The electronic device 300 shown is merely an example and should not limit the functions and scope of use of the embodiments of the present invention.

[0068] like Figure 3 As shown, the electronic device 300 may include a processing device (e.g., a central processing unit, a graphics processing unit, etc.) 301, which can perform various appropriate actions and processes to implement the method of the embodiment of the present invention according to the program stored in the read-only memory (ROM) 302 or the program loaded from the storage device 308 to the random access memory (RAM) 303. Various programs and data required for the operation of the electronic device 300 are also stored in the RAM 303. The processing device 301, ROM 302, and RAM 303 are connected to each other via a bus 305. An input / output (I / O) interface 304 is also connected to the bus 305.

[0069] Typically, the following devices may be connected to the I / O interface 304: an input device 306 including, for example, a touch screen, a touchpad, a keyboard, a mouse, a camera, a microphone, an accelerometer, a gyroscope, etc.; an output device 307 including, for example, a liquid crystal display (LCD), a speaker, a vibrator, etc.; a storage device 308 including, for example, a magnetic tape, a hard disk, etc.; and a communication device 309. The communication device 309 may allow the electronic device 300 to communicate with other devices wirelessly or by wire to exchange data. Although Figure 3 The electronic device 300 is shown with various devices, but it should be understood that it is not required to implement or possess all of the devices shown. More or fewer devices may be implemented or possessed instead.

[0070] The above description is merely a preferred embodiment of the present invention. Those skilled in the art should understand that the scope of disclosure involved in the present invention is not limited to the technical solutions formed by the specific combination of the above-mentioned technical features, but also includes other technical solutions formed by any combination of the above-mentioned technical features or their equivalents without departing from the above-mentioned disclosed concepts. For example, a technical solution formed by replacing the above-mentioned features with (but not limited to) technical features with similar functions disclosed in the present invention.

Claims

1. A method for tracing carbon emission sources from tobacco leaf curing using mixed fuels, characterized in that: The following steps are involved: Obtaining carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and modeling each fuel molecule based on the carbon chain skeleton structure information and main functional group information; Each fuel molecule is mixed in a preset ratio in the simulation space, and oxygen molecules are introduced into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system; Assign force field parameters to the modeled mixed fuel system and label the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources; Perform molecular dynamics simulations of the combustion process of the mixed fuel system and output periodic atomic coordinates and bonding information as simulation results; The credibility of the simulation results relative to the actual combustion process is determined. If the simulation results are not credible, the fuel molecular model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the source of the carbon atoms in the simulated greenhouse gases is traced and analyzed.

2. The method for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 1, characterized in that: The steps of modeling each fuel molecule according to the carbon chain skeleton structure information and main functional group information include: According to the carbon chain skeleton structure information and main functional group information, molecular modification and modeling are performed based on the existing fuel model corresponding to each fuel molecule.

3. The method for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 1, characterized in that: The step of marking the carbon atoms of different types of fuel molecules includes: marking the carbon atoms of different types of fuel molecules with different symbol names.

4. The method for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 1, wherein: The step of judging the credibility of the simulation result relative to the actual combustion process comprises: calculating the cumulative value of the mass of the gaseous substance generated by the molecular dynamics simulation over time, and constructing a first mass loss rate curve using the ratio of the cumulative value to the initial total mass of the mixed fuel; Calculating the cumulative value of the mass of the gaseous substance generated during the actual combustion process of the mixed fuel over time, and constructing a second mass loss rate curve using the ratio of the cumulative value to the initial total mass of the mixed fuel; Performing first-order kinetic fitting on the first mass loss rate curve and the second mass loss rate curve to calculate the apparent reaction rate constant; The consistency between the molecular dynamics simulation process and the actual combustion process is determined based on the apparent reaction rate constant.

5. The method for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 4, characterized in that: The step of performing first-order kinetic fitting on the first mass loss rate curve and the second mass loss rate curve to calculate the apparent reaction rate constant comprises: The combustion reaction is described by the following equation: ln[-ln((100-m l ) / 100)]=n ln t+ln k; Where t is the combustion time, k is the apparent reaction rate constant, n is the reaction order, and m is the reaction rate constant. l represents the weight loss mass fraction, m0 represents the initial weight of the mixed fuel sample, m t Represents the weight of the mixed fuel sample at time t, m e Indicates the final weight of the mixed fuel sample; The apparent reaction rate constant k was calculated by fitting a straight line through linear regression, taking the slope of the straight line as the reaction order n and the intercept as ln k.

6. The method for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 5, characterized in that: The step of judging the consistency between the molecular dynamics simulation process and the actual combustion process according to the apparent reaction rate constant comprises: Kinetic parameters were calculated according to the Arrhenius equation: Where T represents the reaction temperature, k0 represents the pre-exponential factor, E represents the first activation energy during the molecular dynamics simulation, and R represents the gas constant; by The first fitting line is obtained by linear fitting with ln k as the horizontal coordinate and ln k as the vertical coordinate. Calculate the first activation energy E during molecular dynamics simulation; The second activation energy of the actual combustion process is calculated from the thermogravimetric experimental data, and The second fitting straight line is the horizontal coordinate and ln k is the vertical coordinate; If the difference between the first activation energy and the second activation energy is within a preset threshold range, and the trends of the first fitting straight line and the second fitting straight line are consistent, it is determined that the molecular dynamics simulation process is consistent with the actual combustion process; if the difference between the first activation energy and the second activation energy is outside the preset threshold range, or the trends of the first fitting straight line and the second fitting straight line are inconsistent, it is determined that the molecular dynamics simulation process is not consistent with the actual combustion process.

7. A device for tracing carbon emission sources from tobacco leaf baking using mixed fuels, characterized in that: include: a molecular model building module configured to obtain carbon chain skeleton structure information and main functional group information of each fuel molecule in the mixed fuel, and model each fuel molecule based on the carbon chain skeleton structure information and main functional group information; an initial combustion oxygen supply environment construction module configured to mix each fuel molecule in a preset ratio in a simulation space and introduce oxygen molecules into the simulation space to construct an initial combustion oxygen supply environment for the mixed fuel system; The force field assignment and atom labeling module is configured to assign force field parameters to the modeled mixed fuel system and label the carbon atoms of different types of fuel molecules to distinguish the reaction paths of different carbon sources; A molecular dynamics simulation module is configured to perform a molecular dynamics simulation of the combustion process of the mixed fuel system and output periodic atomic coordinates and bonding information as simulation results; The carbon source tracking module is configured to determine the credibility of the simulation results relative to the actual combustion process. If the simulation results are not credible, the fuel molecular model, force field parameters and / or reaction conditions are optimized. If the simulation results are credible, the source of the carbon atoms in the greenhouse gases generated by the molecular dynamics simulation is tracked and analyzed.

8. The device for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 7, characterized in that: The molecular model building module is further configured to: According to the carbon chain skeleton structure information and main functional group information, molecular modification and modeling are performed based on the existing fuel model corresponding to each fuel molecule.

9. The device for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 7, characterized in that: The force field assignment and atom labeling module is further configured to label carbon atoms of different types of fuel molecules with different symbolic names.

10. The device for tracing carbon emission sources from tobacco leaf baking using mixed fuels according to claim 7, characterized in that: The carbon source tracking module is further configured to: Calculating the cumulative value of the mass of the gaseous substance generated during the molecular dynamics simulation over time, and constructing a first mass loss rate curve using the ratio of the cumulative value to the initial total mass of the mixed fuel; Calculating the cumulative value of the mass of the gaseous substance generated during the actual combustion process of the mixed fuel over time, and constructing a second mass loss rate curve using the ratio of the cumulative value to the initial total mass of the mixed fuel; The combustion reaction is described by the following equation: ln[-ln((100-m l ) / 100)]=n ln t+ln k; Where t is the combustion time, k is the apparent reaction rate constant, n is the reaction order, and m is the reaction rate constant. l represents the weight loss mass fraction, m0 represents the initial weight of the mixed fuel sample, m t Represents the weight of the mixed fuel sample at time t, m e Indicates the final weight of the mixed fuel sample; The apparent reaction rate constant k was calculated by fitting a straight line through linear regression, taking the slope of the straight line as the reaction order n and the intercept as ln k; Kinetic parameters were calculated according to the Arrhenius equation: Where T represents the reaction temperature, k0 represents the pre-exponential factor, E represents the first activation energy during the molecular dynamics simulation, and R represents the gas constant; by The first fitting line is obtained by linear fitting with ln k as the horizontal coordinate and ln k as the vertical coordinate. Calculate the first activation energy E during molecular dynamics simulation; The second activation energy of the actual combustion process is calculated from the thermogravimetric experimental data, and The second fitting straight line is the horizontal coordinate and ln k is the vertical coordinate; If the difference between the first activation energy and the second activation energy is within a preset threshold range, and the trends of the first fitting straight line and the second fitting straight line are consistent, it is determined that the molecular dynamics simulation process is consistent with the actual combustion process; if the difference between the first activation energy and the second activation energy is outside the preset threshold range, or the trends of the first fitting straight line and the second fitting straight line are inconsistent, it is determined that the molecular dynamics simulation process is not consistent with the actual combustion process.

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