DETERMINAÇÃO DE VALORES DE PARÂMETROS REACIONAIS DE UM MODELO DE REAÇÃO PARA UM PROCESSO DE PIRÓLISE

Abstract

The invention relates to a computer-implemented method for determining values of reaction parameters of a reaction model for a process of pyrolyzing a plastic starting material into plastic products, said method having the following steps: - providing experimental data comprising a plurality of boiling point distributions of plastic products, wherein each boiling point distribution is paired with a pyrolysis temperature and a pyrolysis duration, and each of the boiling point distributions is binned into a number N of lumps L1 to LN, each lump being paired with a boiling point temperature range; and - determining a respective value of the reaction parameter by fitting the reaction parameter of the reaction model to the experimental data. For each lump Li from L1 to LN-1, the reaction model has a partial reaction, which is determined by at least one reaction parameter, in order to describe the conversion of plastic products of said lump into plastic products of an adjacent lump Li+1 lying therebelow with respect to the boiling point temperature range, said reaction model having less than N*(N-1) / 2 partial reactions.

Description

1 / 33 DETERMINATION OF REACTION PARAMETER VALUES OF A REACTION MODEL FOR A PYROLYSIS PROCESS

[001] The present invention relates to a computer-implemented method for determining reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products, a method for carrying out the pyrolysis of a plastic starting material into plastic products, a data processing system for carrying out the computer-implemented method, and a corresponding computer program.

[002] Europe alone generates several million tons of plastic waste per year, of which a relatively small proportion is collected for recycling. Therefore, large quantities of plastic waste are incinerated, landfilled, or disposed of. To increase recycling rates, for example, a deposit system can be introduced, plastic waste can be mechanically recycled, or, for example, chemically reprocessed by depolymerization and repolymerization. A major challenge associated with plastic waste is the sorting of different types of plastic and waste contamination. Pyrolysis offers a relatively easy way to process mixed plastic waste or even plastic waste contaminated by other types of waste. In pyrolytic processes, valuable resources are generated from organic substances at high temperatures and in the absence of oxygen, which can be used as starting material for the reuse of plastic waste.During pyrolysis, long-chain hydrocarbons from plastic waste are broken down into molecules with a lower molecular weight using thermal energy. The products of pyrolysis are liquid or gaseous and can be further processed in existing infrastructure such as a conventional oil refinery.

[003] The chemical processes that occur during pyrolysis can hardly be described theoretically in detail due to their high com Petition 870260009033, dated 01 / 30 / 2026, page 43 / 85 2 / 33 Complexity. To find suitable parameters, such as pyrolysis time and pyrolysis temperature, for a programmed pyrolysis, pyrolysis can be modeled in a simplified form using a model called a block model. Pyrolysis products are typically classified into so-called blocks according to their boiling point. A block includes pyrolysis products from a particular boiling point temperature range. In the context of known block models, the individual blocks are typically connected to each other through irreversible first-order monomolecular reactions. Pyrolysis products from a block with a high boiling point temperature range can be decomposed into pyrolysis products from any block with a lower boiling point temperature range as part of the block models.The reverse process, that is, polymerization, is negligible in the context of pyrolysis and is typically not modeled in block models. Each reaction is modeled so that the rate or speed of the respective reaction from one block to another can be indicated. Experimental data from an experimental reactor are typically used to determine the parameters of the individual reactions.

[004] For example, Lechleitner, AE; Schubert, T.; Hofer, W.; Lehner, M. Lumped Kinetic Modeling of Polypropylene and Polyethylene Co-Pyrolysis in Tubular Reactors. Processes 2021, 9, 34, https: / / doi.org / 10,3390 / pr9010034, present a block model for the pyrolysis of polypropylene and polyethylene in a tubular reactor. To describe the pyrolysis, a four-block model is used to classify the products resulting from the pyrolysis of plastic. All blocks are connected to each other through an irreversible first-order monomolecular reaction. Furthermore, an initial process step is presented in which the starting material (plastic), which Petition 870260009033, dated 01 / 30 / 2026, page 44 / 85 3 / 33 is not associated with a specific boiling point temperature range; it is converted into products of the block with the highest boiling point temperature range (approximately 420 °C+). According to the publication, it was not possible to evaluate this initial procedural step (see Chapter 2.2.1, last paragraph). A total of six ki reactions are modeled using the Arrhenius equation to detect the temperature dependence of the reactions. For each ki reaction, an Arrhenius constant Ai and an activation energy EA,i, i.e., a total of twelve parameters, are determined using experimental data.

[005] Another model for the pyrolysis of LDPE (low-density polyethylene) is known from the work of Schubert, Teresa, et al. 4-Lump kinetic model of the co-pyrolysis of LDPE and a heavy petroleum fraction. Fuel 262 (2020): 116597. The model has four blocks which, in turn, are connected to each other through irreversible first-order monomolecular reactions.

[006] According to Naik, Desavath V., et al. Kinetic modeling for catalytic cracking of pyrolysis oils with VGO in an FCC unit. Chemical Engineering Science 170 (2017): 790-798, two problems typically occur in the calculation of kinetic parameters. On the one hand, there are convergence problems when there are too many parameters. On the other hand, parameter initialization can cause the optimization to reach a local minimum (which would calculate incorrect parameters). The publication presents a 5-block model for the catalytic cracking of pyrolysis oils. The parameters of the 5-block model were determined sequentially using a 3-block model and a 4-block model to keep the number of parameters to be determined simultaneously low.

[007] The object of the invention is to mitigate or eliminate the disadvantages of the prior art. In particular, the object of the invention is to present a computer-implemented method, a processing system Petition 870260009033, dated 01 / 30 / 2026, page 45 / 85 4 / 33 data processing, and a computer program to determine reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products, which allows for simple, robust and efficient pyrolysis modeling without significantly compromising modeling accuracy.

[008] The objective is achieved by a computer-implemented method for determining reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products, the method comprising the following steps: - providing experimental data comprising a plurality of boiling point distributions of plastic products, wherein each boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time, wherein the boiling point distributions are each grouped into a number N of blocks Li to Ln, wherein each block is associated with a boiling point temperature range; - to determine a respective value for the reaction parameters by fitting the reaction model parameters to the experimental data; wherein the reaction model for each Li block from Li to Ln-i has a partial reaction determined by at least one reaction parameter to describe a conversion of plastic products from this block into plastic products from a Li+i block that lies below and adjacent with respect to the boiling point temperature range, wherein the reaction model has less than N*(N-1) / 2 partial reactions.

[009] The reaction models known to date in the state of the art, as described, for example, in the publication mentioned above by Lechleitner et al. (Processes 2021, 9, 34), comprise the partial reactions of each individual block into all blocks that lie below the boiling point temperature range. As Petition 870260009033, dated 01 / 30 / 2026, page 46 / 85 5 / 33 As a result, the complexity of the model increases rapidly as the number of blocks increases, since N*(N-1) / 2 partial reactions must be taken into account. The state of the art, therefore, also strives to work with the fewest possible blocks. Lechleitner et al. originally based their work on a 6-block model, which was subsequently simplified to a 4-block model (cf. Lechleitner et al., Chapter 2.2.1).

[0010] In the course of the present invention, it has now been surprisingly discovered that some partial reactions can be neglected without significantly compromising the accuracy of the reaction model. Compared to the prior art, the number of partial reactions is therefore reduced to less than N*(N-1) / 2. With the reduction of partial reactions, the convergence of the fit can be improved and, in general, the complexity of the model can be reduced to the same number of blocks – or the number of blocks considered can be increased to the same model complexity. The decisive factor here is the recognition of which partial reactions can be neglected and which cannot be neglected at all without significantly worsening the accuracy of the reaction model. The most crucial partial reactions for the accurate description of pyrolysis are those between adjacent blocks with respect to the boiling point temperature range.It was found that partial reactions between blocks that are far apart in relation to the boiling point temperature range occur less frequently in pyrolysis and are less critical to the accuracy of the reaction model. Conversely, the reaction parameters of these less decisive partial reactions are more difficult to determine, since the experimental data are limited only to these partial reactions and, therefore, the determination of the values ​​of the reaction parameters in question is subject to large experimental and statistical uncertainties. Petition 870260009033, dated 01 / 30 / 2026, page 47 / 85 6 / 33 The occurrence of such less frequent partial reactions may have a negative influence on the overall convergence of the fit. Therefore, it is crucial, in short, that the reaction model for each Li block from Li to Ln-i has a partial reaction to describe a conversion of plastic products from this block into plastic products from a Li+i block that is below and adjacent in relation to the boiling point temperature range, since these reactions are the most critical for describing pyrolysis.

[0011] As part of a pyrolysis of a plastic starting material into plastic products, thermal energy is supplied to the plastic starting material, and thereby the long-chain molecules of the plastic starting material are decomposed and plastic products are formed. For example, any type of plastic waste can be used as the plastic starting material. For example, the plastic starting material may comprise polypropylene or polyethylene. The plastic products may comprise, for example, hydrocarbons (of comparatively shorter and / or lighter chains), such as, for example, heavy oils, melt oil, gas oils, kerosene, naphtha, liquefied petroleum gas (LPG) or hydrocarbons that are gaseous under normal conditions.

[0012] Pyrolysis can be carried out in a pyrolysis reactor. For example, Lechleitner, AE; Schubert, T.; Hofer, W.; Lehner, M. Lumped Kinetic Modeling of Co-Pyrolysis of Polypropylene and Polyethylene in Tubular Reactors. Processes 2021, 9, 34, https: / / doi.org / 10,3390 / pr9010034 present a pyrolysis reactor, which is designed as a tubular reactor. The decisive parameters of pyrolysis are the pyrolysis temperature, i.e., the temperature at which the plastic starting material is heated, as well as the pyrolysis time, which indicates how long the pyrolysis temperature is maintained. In general, a higher pyrolysis temperature and a longer pyrolysis time are more advantageous. Petition 870260009033, dated 01 / 30 / 2026, p. 48 / 85 7 / 33 longer chains lead to an increase in conversion to shorter chain plastic products.

[0013] One step of the method refers to providing experimental data comprising a plurality of boiling point distributions of plastic products. The experimental data can be obtained, for example, by means of a plurality of pyrolysis runs, during which pyrolysis is carried out in each case with the same plastic starting material in the same pyrolysis reactor at a pyrolysis temperature and a pyrolysis time. Each pyrolysis run leads to plastic products that can be classified according to their boiling point. Each experimentally determined boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time. The experimental data preferably show boiling point distributions of a plurality of different pyrolysis temperatures and / or a plurality of different pyrolysis times.Boiling point distributions are each grouped into N blocks, L1 to Ln, each block being associated with a boiling point temperature range. A measured boiling point distribution may, for example, initially exist continuously as a function of the boiling point temperature, in which the blocks are grouped and consequently exist in the form of a histogram. For example, nine blocks, L1 to L9, may be presented in which the individual boiling point distributions are each grouped. The first block, L1, may have, for example, the plastic starting material and a boiling point temperature range above 600 °C. The second block, L2, may have, for example, a boiling point temperature range between 450 °C and 600 °C and may be referred to as the lower product or heavy product. The third block, L3, may have heavy oil and may have a boiling point temperature range of 450 °C. Petition 870260009033, dated 01 / 30 / 2026, p. 49 / 85 8 / 33 between 400 °C and less than 450 °C. The fourth block L4 may contain melt oil and may have a boiling point temperature range between 350 °C and less than 400 °C. The fifth block L5 may contain diesel and may have a boiling point temperature range between 225 °C and less than 350 °C. The sixth block L6 may contain kerosene, for example, and have a boiling point temperature range between 165 °C and less than 225 °C. The seventh block L7 may contain, for example, naphtha and may have a boiling point temperature range between 20 °C and less than 165 °C. The eighth block L8 may contain, for example, liquefied petroleum gas (LPG) and a boiling point temperature range between -120 °C and less than 20 °C. In this example, the eighth block L8 may predominantly comprise hydrocarbons with a number of hydrocarbon atoms between two and four (for example, ethene, ethane, propane, propene, butane, and / or butene).The ninth block, L9, may contain, for example, gaseous hydrocarbons with a boiling point below -120 °C under normal conditions. In this case, the ninth block, L9, would be methane. Alternatively, more or fewer blocks may be presented. For example, two or more of the blocks exemplified above may be combined. For example, other blocks with other boiling point temperature ranges may be presented.

[0014] In this next step, a value for the reaction parameters is determined by fitting the reaction model parameters to the experimental data. The reaction model describes the conversion of plastic products and plastic starting material from the respective blocks into plastic products from other blocks. According to the model, the blocks are preferably associated with irreversible first-order monomolecular partial reactions. For example, block L1 is connected to block L2 with a partial reaction r12, where the following relationship applies: r12 = k12*XLump1. k12 is the reaction rate between block L1 and block L2. XLump1 is the mass fraction of Petition 870260009033, dated 01 / 30 / 2026, page 50 / 85 9 / 33 of plastic products in block L1 (relative to the total mass of all blocks). The individual partial reactions can be described using the Arrhenius equation to account for the dependence on the pyrolysis temperature T:

[0015] kí2 is an Arrhenius constant (also known as the pre-exponential factor or frequency factor). ^12 represents the activation energy of the respective conversion, in this case the activation energy for a conversion of L1 block plastic products into L2 block products. R is the universal gas constant and T is the (absolute) pyrolysis temperature. If each partial reaction is modeled by an Arrhenius equation, each partial reaction is consequently described by two reaction parameters. The reaction parameters for a partial reaction from a Li block to an Lj block are, in this case, k*,IJe and EAij.

[0016] For each Li block from Li to Ln-i, the reaction model has a partial reaction determined by at least one reaction parameter to describe a conversion of plastic products from this block into plastic products from a block L+i that lies below and adjacent with respect to the boiling point temperature range, i is an index that can take positive integer values ​​between one and the number of blocks N. The reaction model refers to pyrolysis in a pyrolysis reactor. The experimental data are experimental data obtained through the reactor. The reaction model is a function of the pyrolysis temperature and the pyrolysis time.

[0017] A pyrolysis model with three blocks L1, L2, and L3, in which a partial reaction from block L1 to block L2 and a partial reaction from block L2 to block L3 is taken into account, may have the Petition 870260009033, dated 01 / 30 / 2026, page 51 / 85 10 / 33 following the form, for example. EA12 k12=k*2xexpÇk23= k*23x exp(—£f) ki dXt— - -kí2x Xi dX2—— — —fc23 X ^2 + ^12X*1 di dX3 -7- = k23x X2dt1 Xi, X2, and X3 indicate the respective mass fraction in block L1, block L2, and block L3, respectively, where t represents the pyrolysis time. The reaction rates ki2 and k23 can be described by the Arrhenius equation, which also includes the pyrolysis temperature T. Xi, X2, and X3 are, in this case, functions of the pyrolysis time and the pyrolysis temperature T; therefore, for example, X1 = Xi(t,T). In this simplified case, the pyrolysis model has a total of four reaction parameters: Ki2, EA12, EA23, and EA423, whose values ​​can be determined by the method according to the invention.

[0018] The experimental data represent experimental data from pyrolysis runs for a single pair of pyrolysis temperature and pyrolysis time values. Using the reaction model, it is possible to perform interpellation between the experimental data on these pairs of values ​​or to extrapolate beyond them. Using the reaction model, the boiling point distribution of plastic products from pyrolysis at any pyrolysis temperature and any pyrolysis time can be estimated. Typically, the pyrolysis temperature ranges from 300 °C to 650 °C. The pyrolysis time typically varies Petition 870260009033, dated 01 / 30 / 2026, page 52 / 85 11 / 33 mind between a few minutes to a few hours. For example, the pyrolysis time can range from 3 minutes to 100 minutes.

[0019] The values ​​of the reaction parameters are determined by fitting the reaction parameters of the reaction model to the experimental data. In this case, fitting means that the values ​​of the reaction parameters are selected in such a way that the reaction model reproduces the experimental data as precisely as possible. For example, the least squares sum of the reaction model to the experimental data can have the lowest possible value (also known as the least squares method). For example, fitting can include minimizing the distance from the experimental data to the reaction model. The distance can be calculated, for example, by means of a target function, for example, the reaction parameters can be varied as part of the fitting, so that a minimum distance from the experimental data to the reaction model is found.The values ​​of the reaction parameters determined in this way lead to the minimum distance of the reaction model from the experimental data.

[0020] In the prior art, reaction models with N*(N-1) / 2 partial reactions are known, that is, partial reactions between all blocks are taken into account. Compared to the prior art, the number of partial reactions is reduced to less than N*(N1) / 2. By reducing the partial reactions, the convergence of the fit can be improved and the complexity of the model can generally be reduced. The decisive factor here is which partial reactions can be neglected and which cannot be neglected at all without significantly worsening the accuracy of the reaction model. As described in more detail above, it is crucial in short that the reaction model for each Li block from L1 to LN-1 has a partial reaction to describe a conversion of plastic products from this block into Petition 870260009033, dated 01 / 30 / 2026, p. 53 / 85 12 / 33 plastic products from a Li+i block that is below and adjacent in relation to the boiling point temperature range, since these reactions are the most critical to describe pyrolysis.

[0021] For example, the reaction model may not have a partial reaction γιν for a reaction between the first Li block and the last Ln block. This partial reaction has the greatest distance in the temperature range from the boiling point of the two blocks involved and is therefore particularly irrelevant to the description of pyrolysis. Conversely, the reaction parameters of this particular partial reaction γιν cannot be easily initialized in the context of the fit and may also have a negative influence on the convergence of the fit.

[0022] In general, the reaction model can have N blocks and fewer than N*(N-1) / M partial reactions, where M is a natural number greater than two that is less than the number of blocks N (that is, N > M). For example, the reaction model can have a number N of at least 4 blocks and fewer than N*(N-1) / 3 partial reactions.

[0023] The number N of blocks is preferably at least three, more preferably at least four, more preferably at least five, more preferably at least six, more preferably at least seven, more preferably at least eight, more preferably at least nine, more preferably at least ten, more preferably at least eleven, more preferably at least twelve. The number N of blocks can be at least seven, for example. For example, the number of blocks can be at least twenty. Due to the reaction model having a lower ratio of partial reactions or reaction parameters to the number of blocks compared to the state of the art, it is possible to use a relatively higher number of blocks without compromising the convergence of the fit. This allows increasing the granularity of the prediction without significantly degrading the quality of the prediction. Petition 870260009033, dated 01 / 30 / 2026, page 54 / 85 13 / 33

[0024] For example, the reaction model may have exactly (N- 1) Partial reactions. In this case, the reaction model only considers partial reactions between adjacent blocks with respect to the boiling point temperature range. In this case, the reaction model can be referred to as a sequential reaction model and has only sequential partial reactions. In this case, the reaction model maps a single path from the first block L1 to the last block LN. For example, the conversion of a first L1 into a third block L3 can occur only as conversion of block L1 into a second block L2 and also conversion of block L2 into block L3, where block 2 is between block L1 and block L3 with respect to the boiling point temperature range and is adjacent to both block L1 and block L3.Alternative pathways, for example, a direct conversion from L1 to L3 block (which are not contiguous with respect to the boiling point temperature range), are not offered in the context of the sequential reaction model and are therefore not possible within the context of the reaction model. Sequential partial reactions are the most decisive partial reactions between blocks in terms of an accurate description of pyrolysis. By restricting the reaction model to (N-1) sequential partial reactions, convergence problems can be avoided as much as possible; furthermore, the fit and thus the values ​​of the reaction parameters do not depend on initial starting values ​​of the reaction parameters for the fit. The reaction model accurately maps pyrolysis despite the simplification compared to known and more complex reaction models.Furthermore, restricting the reaction model to (N-1) sequential partial reactions makes it possible to consider a significantly higher number of blocks without increasing the overall complexity of the model.

[0025] The invention also relates to a method for determining reaction parameter values ​​of a reaction model for pyrolytic Petition 870260009033, dated 01 / 30 / 2026, page 55 / 85 14 / 33 of a plastic starting material into plastic products with a computer-implemented method according to the invention to determine reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products, wherein the provision of experimental data comprises the following steps: - To perform multiple pyrolysis rounds with different pyrolysis temperatures and / or pyrolysis times in a pyrolysis reactor; - to measure the boiling point distribution of plastic products per pyrolysis round, where each boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time; - group the individual boiling point distributions into N blocks L1 to LN, where the boiling point temperature range is associated with each block to obtain experimental data.

[0025] The experimental data were obtained through a plurality of pyrolysis runs, in which pyrolysis was performed in each case with the same plastic starting material in the same pyrolysis reactor at a pyrolysis temperature and pyrolysis time. Each pyrolysis run results in plastic products that can be classified according to their boiling point.

[0026] For each pyrolysis round, the boiling point distribution of the plastic products is measured, and thus the plastic products are classified according to their boiling point. Lechleitner, AE; Schubert, T.; Hofer, W.; Lehner, M. Lumped Kinetic Modeling of Polypropylene and Polyethylene Co-Pyrolysis in Tubular Reactors. Processes 2021, 9, 34. https: / / doi.org / 10,3390 / pr9010034 present, for example, an experimental reactor (pilot plant) that has an instantaneous vessel (also referred to as an evaporator) at Petition 870260009033, dated 01 / 30 / 2026, page 56 / 85 15 / 33 downstream of the pyrolysis reactor (i.e., downstream of the pyrolysis reactor). With the aid of flash vessels, the plastic products that are present in gaseous form can be separated. To this end, the temperature and pressure in the flash vessel can be set to influence the separation (the so-called separation cutoff). The plastic products that are gaseous under the respective conditions (i.e., pressure and temperature) in the flash vessel can exit the evaporator and can be directed to one or more dry siphons. The plastic products removed in this way can be weighed and mixed, for example, with a lower product from the flash vessels to form a final liquid product, which can then be analyzed. The plastic products that are gaseous below 0 °C can be collected, for example, in a gas balloon and then further analyzed.

[0027] Gaseous plastic products can be analyzed, for example, by gas chromatography according to DIN 51666:2007-01. As a result, for example, the calorific value, specific gravity and / or a detailed molecular composition of the plastic products can be determined. The boiling point distribution of the collected liquid plastic products and any carrier medium can be analyzed, for example, according to ASTM D7169-20e1 by means of simulated distillation. The boiling point distribution is weighted according to mass.

[0028] Each experimentally determined boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time for the respective pyrolysis round.

[0029] The boiling point distributions are each grouped into a number N of blocks L1 to LN, each block being associated with a boiling point temperature range for obtaining experimental data. Grouping means a division or subdivision of the boiling point distribution into classes, where the Petition 870260009033, dated 01 / 30 / 2026, page 57 / 85 16 / 33 classes in this case are the blocks.

[0030] The invention also relates to a method for carrying out the pyrolysis of a plastic starting material into plastic products, comprising the following steps: - to determine reaction parameter values ​​of a pyrolysis reaction model using the computer-implemented method according to the invention; - Specify a desired boiling point distribution; - Determine a pyrolysis temperature and pyrolysis time by minimizing the distance from a boiling point distribution calculated using the reaction model and the previously determined values ​​of the reaction parameters from the desired boiling point distribution; and - Perform pyrolysis at the predefined pyrolysis temperature and predefined pyrolysis time.

[0031] The pyrolysis model is a function of pyrolysis time and pyrolysis temperature. Using the pyrolysis model with previously determined reaction parameters of the partial reactions, a (theoretical) boiling point distribution of the plastic products can be calculated for each pair of pyrolysis time and pyrolysis temperature values. The calculated boiling point distribution has the same blocks as the pyrolysis model.

[0032] In a subsequent step, a desired boiling point distribution is specified. The predetermined boiling point distribution can be continuous or in the form of a histogram. The predetermined boiling point distribution may, for example, have the same blocks as the reaction model. The specified boiling point distribution indicates which boiling point distribution would be ideal for the plastic products after pyrolysis of Petition 870260009033, dated 01 / 30 / 2026, page 58 / 85 17 / 33 a plastic starting material. The desired boiling point distribution can indicate in which blocks the plastic products should preferably be converted by pyrolysis.

[0033] In the next step, the pyrolysis temperature and pyrolysis time are determined by minimizing the distance between the boiling point distribution calculated using the reaction model and the previously determined values ​​of the reaction parameters and the desired boiling point distribution. For example, both the predetermined boiling point distribution and the calculated boiling point distribution can be present as a histogram and have the same blocks. In this example, the distance can be a sum of the differences in each case of a predetermined accumulation value of a block from the predetermined boiling point distribution and a corresponding calculated accumulation value of a block from the calculated boiling point distribution. The distance can have a weighting, for example, one block can be weighted more heavily than the others, so that the model presents the highest weighted block with particular accuracy.The pyrolysis temperature and pyrolysis time are variables of the reaction model (and also of the pyrolysis itself). The predefined pyrolysis temperature and predefined pyrolysis time are the values ​​of these variables that result in the minimum distance from the specified boiling point distribution to the calculated one.

[0034] In the final stage, pyrolysis is carried out at a predefined pyrolysis temperature and time. To this end, the pyrolysis reactor is operated in such a way that the predefined pyrolysis temperature and time are reached and maintained. For example, the same plastic starting material can be used in the previously performed pyrolysis rounds to determine the reaction parameters of the partial reactions. For example, po Petition 870260009033, dated 01 / 30 / 2026, page 59 / 85 18 / 33 The same pyrolysis reactor used in previous pyrolysis runs to determine reaction parameters must be used for pyrolysis.

[0035] Another method for carrying out pyrolysis of a plastic starting material into plastic products comprises the following steps: - to determine reaction parameter values ​​of a pyrolysis reaction model using the computer-implemented method according to the invention; - Calculate a plurality of boiling point distributions using the reaction model and the previously determined values ​​of the reaction parameters, where each calculated boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time; - Select one of the calculated boiling point distributions to determine the pyrolysis temperature and pyrolysis time; and - Perform pyrolysis at the predefined pyrolysis temperature and predefined pyrolysis time.

[0036] The calculated boiling point distribution can be selected, for example, based on predefined criteria. For example, a boiling point distribution having a maximum in a predefined block can be selected. Pyrolysis at the predefined pyrolysis temperature and predefined pyrolysis time can result in a boiling point distribution of the plastic products substantially corresponding to the selected boiling point distribution.

[0037] The invention also relates to a data processing system comprising means for carrying out the steps of the computer-implemented method according to the invention. For example, Petition 870260009033, dated 01 / 30 / 2026, pages 60 / 85 19 / 33 The data processing system may have a computer, such as a laptop. For example, the data processing system may include a processor and a hard disk.

[0038] The data processing system means can also be configured to perform the following step: - Calculate a pyrolysis temperature and pyrolysis time using the reaction model and previously determined values ​​of the reaction parameters, where the pyrolysis temperature and pyrolysis time are defined so that the distance of the boiling point distribution calculated using the reaction model from a desired boiling point distribution is minimized.

[0039] The invention further relates to a computer program comprising instructions which, when the program is executed by a computer, cause the computer to perform the steps of the computer-implemented method of the invention.

[0040] The present invention will be explained in more detail in relation to exemplary embodiments illustrated in the figures, which, however, are not intended to be limiting.

[0041] FIG. 1 shows schematically the structure of a pyrolysis reactor.

[0042] FIG. 2 schematically shows a reaction scheme between two blocks in the context of modeling the kinetic reaction of the blocks.

[0043] FIG. 3 shows a schematic representation of a reaction model for pyrolysis with nine blocks.

[0044] FIG. 4 shows a comparison of the kinetic decay rates of different plastic starting materials.

[0045] FIGS. 5A-5I show the deviations of the individual blocks of the reaction model as a function of the average pyrolysis temperature.

[0046] FIG. 6 shows a distribution of boiling points Petition 870260009033, dated 01 / 30 / 2026, page 61 / 85 20 / 33 measured (dashed line) compared to a boiling point distribution calculated using the reaction model (solid line).

[0047] FIGS. 7A-7I show a study of the parameters of various pyrolysis temperatures and mass flows in the pyrolysis reactor. Example 1

[0048] Example 1 refers to a nine-block sequential reaction model for the co-pyrolysis of plastic mixtures with a heavy oil fraction and determination of the reaction parameters of the sequential reaction model. The plastic starting material in this case is a mixture of plastics with the heavy oil fraction.

[0049] In this example, a nine-block kinetic reaction model was used. The reaction model has exclusively sequential partial reactions without alternative reaction pathways. This circumstance allowed for an uncomplicated implementation of the reaction model. The reaction model was established based on experimental data collected in a laboratory pyrolysis reactor in the form of a tubular reactor with a maximum yield of 2500 g / h.

[0050] To determine the reaction model, three different types of plastics, mixed with a heavy oil fraction of different composition, were used as plastic starting material for the pyrolysis reactor. The plastics were untreated polypropylene (PP), low-density polyethylene (LDPE), and high-density polyethylene (HDPE) in powder form (see Table 1). Due to the physical dimensions of the reactor, particularly the small internal diameter of the tubes, the maximum particle size of the plastic had to be less than 500 µm. Therefore, the plastic was ground under cryogenic conditions before being used in the experiments. The maximum plastic-to-carrier ratio that could be obtained by the system design was 30% by weight. Higher proportions of plastic would have led to blockages in the reactor feeding system. Petition 870260009033, dated 01 / 30 / 2026, page 62 / 85 21 / 33

[0051] The organic carrier medium used was a readily available byproduct from the petroleum refining process. It is a predominantly aliphatic medium with an aromatic content of approximately 25%, a density of 880 kg / m3 and a calorific value of 45 MJ / kg. As the carrier medium is also cracked under the prevailing conditions in the reactor, the reaction (kinetic) parameters were determined in preliminary experiments for the carrier medium only. Table 1. Specifications of the types of plastic used for the pyrolysis experiments (i.e., plastic starting products) Molecular mass (Mw) Net calorific value Gross calorific value Inflection point at TGA (g / mol) (kJ / kg) (kJ / kg) (°C) Polypropylene 3.624·10⁵ 44.510 47.343 484 Polyethylene LD 2.3834·10⁵ 43.409 46.159 500 Polyethylene HD 2.0275·10⁵ 43.525 46.409 509 Experimental setup and experimental procedure

[0052] The experiments were carried out in a pyrolysis reactor (also referred to as a laboratory reactor), which was specifically constructed for this process and is shown schematically in FIG. 1. Pyrolysis reactor 1 corresponds substantially to the reactor described in Schubert T, Lehner M, Hofer W (2018) Experimental and modeling approach of LDPE thermal cracking for feedstock recycling, 14th MINISYMPOSIUM CHEMICAL & PROCESS ENGINEERING and 5th PARTICLE FORUM Book of Abstracts with some adjustments for the experimental procedure.

[0053] The liquid carrier medium and the plastic powder were manually mixed before the experimental runs at predefined mass ratios between 0 and 30% by weight of plastic. The mixture (i.e., the plastic starting material) was introduced into a container of Petition 870260009033, dated 01 / 30 / 2026, pp. 63 / 85 22 / 33 storage 2 and continuously agitated inside. The plastic starting material is transported from reservoir 2 by means of a pump 3 (in this case an eccentric screw pump). Two reactors 4 and 5 were arranged downstream of pump 3. Reactors 4 and 5 were coils 6, which were heated in sand baths 7 to the required temperature range of 400 °C to 550 °C. The length of each reactor coil 6 could be varied between 8 m and 24 m to further adjust the residence time (i.e., the pyrolysis time) without altering the flow pattern. The actual pyrolysis took place in reactors 4 and 5. After the medium (i.e., the plastic products after pyrolysis) passed through reactors 4 and 5, it was cooled to about 90 °C by an air cooler 8 and an oil cooler 9. The pressure in the system could be regulated with a valve 10 (either with a manual valve or with an automatic diaphragm valve) to relax the products to atmospheric pressure.For all experiments, the system pressure was regulated to 15 bar. After the air cooler 9 and the valves 10, an instantaneous vessel 11 was introduced. The plastic products, which were gaseous under the conditions in the instantaneous vessel 11, exited the latter through a head section and were carried to a first cold siphon 12 and a second cold siphon 13. The first cold siphon 12 was set at a temperature of 15 °C, while the second cold siphon 13 was set at a temperature of 0 °C. The plastic products present at the bottom of the instantaneous vessels 11 are referred to as lower products and exited the instantaneous vessels through a lower conduit 14. The plastic products collected through the first cold siphon 12 are referred to as upper products and exited the first cold siphon 12 through an upper conduit 15.The plastic products collected through the second cold siphon 13 are referred to as light products and exit the second cold siphon 13 through a light product duct 16. The pyrolysis products (i.e., the pro. Petition 870260009033, dated 01 / 30 / 2026, pp. 64 / 85 23 / 33 plastic ducts), which were gaseous below 0 °C after the second cold siphon 13, were sampled with a gas balloon (not shown). After removal of the products, all liquids were weighed, cooled in a refrigerator, and mixed with the final liquid product that was analyzed.

[0054] The experimental conditions, i.e., the pyrolysis temperature and the pyrolysis time, varied mainly according to the temperature of the sand baths 6, the length of the reactors 4, 5 and the pump outlet 3. The pump outlet 3 regulated the mass flow in the reactors 4, 5 and has a minimum flow of 300 g / h and a maximum flow of 2500 g / h. This results in residence times (i.e., pyrolysis times) in a range of 3 minutes to 60 minutes, depending on the operating conditions. Residence time = Reactor volume* / Volume flow rate

[0055] Residence time can be calculated and summarized differently for each reactor volume element.

[0056] One influence on residence time (which corresponds to pyrolysis time) is the reactor temperature, since the vapor content of the medium and, consequently, its average density depends heavily on it. With regard to chemical reactions, residence time and temperature are independent parameters for the reaction rate. However, physical phenomena also occur in a flow tube that can lead to a correlation between the two parameters. Due to increasing temperatures, for example, the melting point could be partially exceeded, which is why vapors could form. In addition, reactions to lighter products (or low-boiling-point blocks) could also occur, which would increase the proportion of water vapor. This could reduce the average density. This would increase the volume flow, which could result in a shorter residence time with the reactor volume remaining the same. Petition 870260009033, dated 01 / 30 / 2026, pages 65 / 85 24 / 33 being the same.

[0057] The gaseous plastic product collected using the gas balloon was analyzed by gas chromatography according to DIN 51666:2007-01. The results are the calorific value, specific gravity, and molecular composition of the gas phase. The true boiling point curve of the liquid products and the carrier medium was analyzed according to ASTM D7169-20e1 by simulated distillation (SIM-Dist). 9-block reaction model

[0058] Kinetic modeling using blocks is a classic approach for modeling the kinetics of hydrocarbon cleavage. This approach is necessary because the typical starting material for hydrocarbon pyrolysis is a mixture of many different molecules, and considering each individual real reaction between each molecule is impractical. In this method, each individual component of the plastic products is associated with a specific block in a reaction network. The blocks were divided according to boiling point. Alternatively, the division can also be made according to other material properties such as molecular structure or density. Each block functions as a pseudo-component with representative material properties derived from the molecules contained therein. The cleavage reactions between the blocks were modeled as single-stage, irreversible monomolecular reactions, as shown schematically in FIG. 2, with the reaction rate r (cf. Eq.(1)) obeying Arrhenius' law (cf. Eq. (2)). Γ12 = k 12 · XLumpl (1) k 12 = k 12* · e (-Ea 12 / R · T) (2)

[0059] In the reaction model of this example, the blocks are separated by boiling point. First, the boiling point temperature ranges of interest for the refinery were defined, which led to Petition 870260009033, dated 01 / 30 / 2026, pp. 66 / 85 25 / 33 gas classification in the lower products shown in Table 2. All components with a boiling point above 600 °C were defined as plastic / wax blocks, representing the tip of the boiling point temperature range of the organic carrier medium. A complete reaction network with nine blocks (i.e., the number N of blocks is nine), in which each heavier block (i.e., each of the blocks with a higher boiling point temperature range) reacts with each lighter block (i.e., each of the blocks with a lighter boiling point temperature range), would consist of N*(N-1) / 2, i.e., 36 different reactions, each with two kinetic reaction parameters for each reaction. The sequential reaction model considers only one reaction for each heavier block to the next lighter block, directly obeying the boiling point.This significantly reduces the number of reactions to eight unknown reactions with 16 kinetic parameters. The resulting reaction model is shown schematically in FIG. 3.

[0060] The sequential reaction model takes into account the decomposition of the plastic and carrier medium mixtures so that there is no interaction between the materials. For the carrier medium and all the plastic in the plastic starting material, the reaction model can be solved independently of each other. The final mass fraction of block j is the sum of all blocks with the same boiling point temperature range of n separate components (Eq. (3)). Table 2. Boiling point temperature range and number of carbon atoms for the nine blocks of the reaction model. Block Name | Boiling Point Range | Number of Carbon Atoms (°C) (-) | Plastic / Wax (P) | 1 | >600 | >55 Petition 870260009033, dated 01 / 30 / 2026, pp. 67 / 85 26 / 33 Block Name Block No. Boiling Point Temperature Range Number of Carbon Atoms Lower Products (Res) 2 450 - 600 30-55 Heavy Oil (HO) 3 400 - < 450 23-30 Fusion Oil (SO) 4 350 - < 400 18-22 Gas Oil (GO) 5 225 - < 350 13-17 Kerosene (Kero) 6 165-<225 10-12 Naphtha 7 20-< 165 5-9 LPG 8 -120-<20 2-4 Gas 9 <-120 1 nm X, = V xj i and V = 1 Í=1 7=1 (3) Simulation and adjustment of reaction parameters

[0061] The reactor was programmed in PetroSim 7.2 as a custom operating unit in Visual Basic. For the simulation, the laboratory system was divided into nine parts according to its geometry. Each part was simulated as a plug flow tubular reactor and differs from the other parts in terms of its geometry, ambient temperature, and tube insulation. For example, the first part is a horizontal tube, the second part is a vertical tube, and the third is a downflow coil. All these geometries have different formulas for the heat transfer coefficient and different ambient temperatures. The initial conditions for the integration of the first part of the reactor are the measured mass flow rate, the measured feed temperature, and the concentration of the feed in the blocks. The initial conditions of the following part are the solution of the differential equations of the preceding part.

[0062] In this model, mass equilibrium with the reaction of the blocks, energy equilibrium for the required fluid temperature Petition 870260009033, dated 01 / 30 / 2026, pp. 68 / 85 27 / 33 for the reaction rates, and the pressure loss equation for the two-phase fluid were solved. The differential equations were discretized as a one-dimensional grid along the length of the reactor tube (cf. Eq. (4), (5), (6)). The Darcy friction coefficient for the pressure loss calculation is calculated according to the Beggs and Brill correlation for two-phase flows (cf. (1996) Standard handbook of petroleum & [and] natural gas engineering. Gulf Publ, Houston, TX). ΔΎ. Δζ ΔΤ 2 AHr a · · (T Tymgebung ) Δζ v p-cp Δρ λ p V2 Δζ dr-2 (4) (5) (6)

[0063] The kinetic parameters of the model were adjusted with Matlab and the surrogate optimization solver from the global optimization toolbox. Surrogate optimization is generally used for the global optimization of expensive functions for which no derivatives are available. For fitting, PetroSim was approached as a COM server by Matlab to include the experimental parameters and measurements in the case and obtain the results after calculation. The simulation results are the composition of the blocks of the simulated products compared to the actual measured composition of the blocks. The model itself is treated as a black box by the surrogate solver, which does not require a gradient for fitting. The objective function Obj used in this study is the sum of the squared errors between the experimental composition and the calculated composition of the blocks according to equation (7). Petition 870260009033, dated 01 / 30 / 2026, pp. 69 / 85 28 / 33 m η Obj = JZWJ=1 i=1(7)

[0064] As it is assumed that there are no interactions between the components, the kinetic reaction parameters can be adjusted, first for the carrier medium and then for each plastic individually by performing experiments only with the carrier medium or only with the individual plastic (i.e., a plastic starting material with only one plastic). The parameter ranges and the number of experiments for each plastic composition are listed in Table 3. From each plastic starting material, two to three experiments were randomly selected for the evaluation of the kinetic parameters. These selected experiments and all experiments with mixed plastics were used only for the evaluation of the model parameters, and not for model training. Table 3: Data for adjusting the kinetic reaction parameters. Runs with mixed plastics were used to evaluate the results. Number of experiments for Adjustment Evaluation Temperature range Mass flow range Reactor length range Plastic content (-) (-) (°C) (g / h) (m) (wt. %) Carrier medium 21 3 410-520 600-2500 32-48 0 Polypropylene 10 2 440-520 600-2500 32-48 10-30 LD Polyethylene 20 3 450-530 600-2500 48 10-30 HD Polyethylene 20 3 450-540 600-2500 48 10-30 Petition 870260009033, dated 01 / 30 / 2026, pp. 70 / 85 29 / 33 Range Number of experiments - Range of fluctuations for temperature x mass Assessment Adjustment Range of content length of the plastic reactor (-) (-) (°C) (g / h) (m) (wt. %) Mixture of 0 32 440-530 600- 32-48 30 plastics 2500 Simulation and adjustment of reaction parameters

[0065] Experimental results demonstrated a significant influence of process parameters and the composition of the plastic starting material on the boiling point distribution of the plastic products after the pyrolysis rounds. An overview of the experimental process data is presented in Table 4. Table 4. Experimental parameters for the figures. Starting Material No. Plastic Reactor Temperature 4 Reactor Temperature 5 Mass Flow Rate Residence Time (-) (-) Carrier (% by weight) (°C) (°C) (g / h) (min) 257 (C) C+PP C+LDPE C+HDPE 0 450 450 1050 ~17 275 C+MIX 30 460 470 880 19.9 Decomposition kinetics of different types of plastic

[0066] Since the heaviest block (i.e., the block with the highest boiling point temperature range and the longest hydrocarbons) consists of plastic and its heavier waxy products, the partial reactions k1 of the respective kinetic networks can be considered as the decomposition rates of the plastics. Figure 4 shows that polypropylene decomposes much faster than low-density polyethylene and that high-density polyethylene... Petition 870260009033, dated 01 / 30 / 2026, pp. 71 / 85 30 / 33 across most of the temperature range studied. The reaction rate of low-density polyethylene is twice as fast as that of high-density polyethylene across the investigated temperature range. At 500 °C, the reaction rates of all plastics approach a similar value and the differences become smaller. The activation energies and frequency factors of the reactions are shown in Table 5. Table 5. Activation energy and frequency factor of the decomposition reactions k12 of PP, LDPE and HDPE. Reaction Frequency Factor Activation Energy (l / s) (kj / mol) k12 - PP 1.84E+09 167,318 k12 - LDPE 3.21E+19 316,124 k12 - HDPE 7.16E+20 338,287 Accuracy of the reaction model

[0067] The calculated kinetic parameters (i.e., the reaction parameters) were evaluated with experimental data that were not used for adjusting the reaction parameters. The criterion for a good model fit was that the maximum deviation of the simulated data from the experimental values ​​is less than 0.05 kg / kg (cf. Eq. (8)) and no obvious systematic error was observed. Figures 5A to 5I show the deviation between the simulated mass fraction and the measured mass fraction for each evaluation experiment, plotted against the average temperature in the reactor. No systematic error can be detected across all blocks and the entire temperature range. It is also possible to note that the accuracy for most groups is within the accuracy criterion defined above. The least accurate image block is the plastic / lower product block. In this block, two of the experiments show a slightly higher deviation than the threshold with a maximum deviation of 0.07 kg / kg.Despite the higher deviation, no systematic error is noticeable, and thus the kinetic parameters are well adapted nonetheless. Petition 870260009033, dated 01 / 30 / 2026, pp. 72 / 85 31 / 33 of these two outlier values. The higher deviation from the heavier block can be explained by the measurement imprecision of SimDist, which is less accurate at higher boiling points. Figure 6 shows that the boiling point distributions of the simulation (solid line) are very similar to the measured boiling point distribution (dashed line). AXMax = Max (8) Experimental series with a laboratory reactor

[0068] The kinetic model was used in a case study to find the ideal experimental parameters for the laboratory reactor (which, in this case, is the pyrolysis reactor). This case study was carried out with a plastic starting material consisting of 20 wt% LDPE, 10 wt% PP, and 70 wt% carrier medium. A separate reaction mode was determined for each of the different plastic starting materials. The individual models can be summed (weighted according to the respective proportion of plastic starting material). Figures 7A to 1 show the yields of the reactor blocks across the entire temperature and mass flow range. It is clearly observable that temperatures above 470 °C have a positive impact on the yield of plastic products from more valuable blocks with intersections below 350 °C.Above this temperature, almost all the plastic separates into lighter fractions (or blocks) of kerosene and diesel, which has a clearly visible maximum yield of 0.14% by weight and 0.25% by weight, respectively. Example 1 Summary

[0069] Pyrolysis processes for the chemical recycling of plastics are a necessary technology for a complete circular economy. In this example, it was demonstrated that a simple kinetic reaction model based on blocks, which has nine blocks and unique Petition 870260009033, dated 01 / 30 / 2026, pp. 73 / 85 32 / 33 sequential partial reactions, can model the decomposition of polyolefins in a carrier medium with good accuracy. The resolution of the boiling points of the plastic products is more accurate than in other reaction models with fewer blocks, with the number of unknown reaction parameters for adjustment being limited. The maximum deviation of the modeled mass fraction from the experimental results is less than 0.05 kg / kg for most blocks, except for the plastic waste block, which shows a maximum deviation of 0.07 kg / kg. This accuracy has been shown to be detectable in the temperature range relevant for slowing down pyrolysis above 400 °C and below 500 °C. A case study for the laboratory plant showed that there was a clear temperature window between 470 °C and 520 °C for maximum kerosene and gas oil yield. List of abbreviations C Carrier medium Cal Calculated value Exp GO Measured experimental value Gas oil HDPE High-density polyethylene HO Heavy oil HTC Heat transfer coefficient IBP Initial boiling point Kerosene LDPE Low-density polyethylene LKM Block reaction model LPG Liquefied petroleum gas Obj P Target function Plastic PP Polypropylene Res Lower products SO Fusion oil TBP Actual boiling point Petition 870260009033, dated 01 / 30 / 2026, pp. 74 / 85 33 / 33 List of Symbols C Number of carbon atoms Cp Thermal capacity dr Reactor diameter Eaij Activation energy for the conversion of block i to block jk*ij Arrhenius constant (frequency factor) for the partial reaction from block i to block j kij Rate constant for the partial reaction from block i to block jp Pressure R Gas constant (J / molK) rij Partial reaction from block i to block j T Temperature v Flow rate Xi Mass fraction of block j Xij Mass fraction of block j of component iz Reactor length α Heat transfer coefficient ΔHR Enthalpy of reaction λ Darcy friction factor ρ Density Petition 870260009033, dated 01 / 30 / 2026, pages 75 / 85

Claims

1 / 3 CLAIMS 1. A computer-implemented method for determining reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products, characterized in that it comprises the following steps: - providing experimental data comprising a plurality of boiling point distributions of plastic products, wherein each boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time, wherein the boiling point distributions are each grouped into a number N of blocks L1 to LN, wherein each block is associated with a boiling point temperature range; - determining a respective value of the reaction parameters by fitting the reaction model parameters to the experimental data;wherein the reaction model for each Li block from L1 to LN-1 has a partial reaction determined by at least one reaction parameter to describe a conversion of plastic products from this block into plastic products from a Li+1 block that lies below and adjacent with respect to the boiling point temperature range, wherein the reaction model has fewer than N*(N-1) / 2 partial reactions.

2. A computer-implemented method according to claim 1, characterized in that the number N of blocks is at least seven.

3. Computer-implemented method according to claim 1 or 2, characterized in that the reaction model has exactly (N-1) partial reactions.

4. Method for determining reaction parameter values ​​of a reaction model for the pyrolysis of a plastic starting material into plastic products with a method implemented by computer, as defined in any of the preceding claims, characterized in that the provision of experimental data comprises the following steps: - performing a plurality of pyrolysis rounds with different pyrolysis temperature and / or pyrolysis time in a pyrolysis reactor; - measuring the boiling point distribution of plastic products per pyrolysis round, wherein each boiling point distribution is associated with a pyrolysis temperature and a pyrolysis time; - grouping the individual boiling point distributions into N blocks Li to Ln, wherein the boiling point temperature range is associated with each block to obtain experimental data.

5. A method for carrying out the pyrolysis of a plastic starting material into plastic products, characterized in that it comprises the steps of: - determining reaction parameter values ​​from a pyrolysis reaction model using the computer-implemented method as defined in any one of claims 1 to 3 or using the method according to claim 4; - specifying a desired boiling point distribution; - determining the pyrolysis temperature and pyrolysis time by minimizing the distance from a boiling point distribution calculated using the reaction model and the previously determined reaction parameter values ​​from the desired boiling point distribution; and - carrying out the pyrolysis at the predefined pyrolysis temperature and predefined pyrolysis time.

6. Data processing system, characterized by the fact that it performs the steps of the computer-implemented method, as defined in any of claims 1 to 3.

7. Data processing system, according to claim 6, characterized in that it is further adapted to perform the following step: - calculate the pyrolysis temperature and pyrolysis time using the reaction model and previously determined values ​​of the reaction parameters, wherein the pyrolysis temperature and pyrolysis time are defined so that the distance of the boiling point distribution calculated using the reaction model from a desired boiling point distribution is minimized.

8. Machine-readable storage medium, characterized in that it comprises instructions which, when executed, cause the computer to perform the steps of the computer-implemented method, as defined in any one of claims 1 to 3. Petition 870260009033, dated 01 / 30 / 2026, pp. 78 / 85

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