Monitoring of exothermic reactions in reactor

Abstract

In a project planning system according to the invention for creating a program for monitoring an exothermic reaction in a reactor, the project planning system for creating a program provides: at least one first functional module having a mathematical model, at least one first functional module for determining a maximum temperature and / or a maximum pressure in the reactor in the event of an out-of-control reaction on the basis of the substance data of the component in the reactor and on the basis of the measured values, preferably by determining the concentration of the component in the reactor, and at least one second functional module for determining the maximum temperature and / or the maximum pressure in the reactor in the event of an out-of-control reaction, the invention relates to a method for determining material data of one or more components in a reactor, in particular thermal capacity, density, vapor pressure, conductivity, solubility and / or viscosity. The program is particularly suitable for implementation in safety-related, programmable logic controllers.

Description

Technical Field

[0001] The invention relates to a project planning system and a method for creating a program for monitoring an exothermic reaction in a reactor. Furthermore, the invention relates to a computer program for monitoring an exothermic reaction in a reactor. Background Art

[0002] Thermal runaway is the loss of temperature control of a chemical reaction due to an exothermic reaction which can lead to an explosive temperature rise in the reactor. When the heat generated, such as, for example, the heat of reaction, can no longer be sufficiently dissipated, then a loss of temperature control occurs. The result is an increase in the reaction rate and thus a self-accelerating process which releases other energy from the reaction process or decomposition process.

[0003] As a result, the temperature and therefore also the pressure in the reactor increases. This is also called a runaway reaction. A runaway reaction or self-acceleration leads to the reaction of safety devices, such as safety valves or rupture discs, and causes product spillage (or in the worst case, reactor explosion), in the case of which sudden release can result in high gas emissions, which can even be flammable or toxic.

[0004] This problem occurs in particular in the case of reactors operating in semi-batch mode with exothermic reactions. This problem includes, but is not limited to, the possibility of the reaction grinding to a halt and, at the same time, of an accumulation of the added reactants (so-called accumulation). When the reaction is restarted, this accumulation can lead to an exponential release of energy, which is difficult to control due to the self-accelerating reaction.

[0005] Therefore, it is desirable to already identify the hazardous potential of a runaway reaction via early identification methods during the preparation phase.

[0006] The publication by Biernath, Johannes et al., "Model-based zero emission safety concept for reactors with exothermal reactions for chemical plants", Journal of Loss Prevention in the Process Industries 72 (2021): 104494, gives an overview of known "online" model-based early identification methods. These methods use divergence criteria, adiabatic criteria or accumulation criteria.

[0007] The divergence method based on the divergence criterion (also the subject of EP 0 882 499 A1) describes how the volume is developed via the temperature change of the reactor, the temperature change rate and the temperature difference rate between the reactor and the cooling jacket. If the volume increases over time, it is easy to assume that there is a runaway reaction. The method is used in the open literature: the time between the detection and the occurrence of a runaway reaction is only a short period of time, so that only conditional countermeasures are possible due to the acceleration of the reaction.

[0008] In the case of the accumulation criterion, the accumulation of the reaction additive component (i.e., the reactant) is determined, and from this the maximum temperature and the maximum pressure in the reactor in the case of a runaway reaction are determined. In this case, direct concentration measurements by means of optical methods or infrared spectroscopy or indirect methods such as, for example, energy balance methods are cited for determining the accumulation. For example, the maximum temperature is compared with the design temperature of the reactor, and if a threshold value is exceeded, for example, the addition of the reaction component is prohibited.

[0009] Further details for the calculation of the adiabatic temperature increase in the case of a runaway reaction and for the accumulation criterion are described in the publication 2022 by Schmidt C., Biernath J., Schmidt J., Denecke J., Protection of chemical reactors against exothermal runaway reactions with smart overpressure protection devices, Chemical Engineering Transactions, 90, 493-498 DOI: 10.3303 / CET2290083. Further details for the energy balance method are also disclosed here.

[0010] For other prior art, reference is made, for example, to WO 03 / 103826 Al (including but not limited to the energy balance method) and WO 00 / 47632 Al.

[0011] The challenge in the early identification methods known from the prior art is to switch to safety-related, programmable logic controllers (sPLCs), which have a limited number of math modules, cyclic processing, offer only a limited programming language (LVL), and are also subject to regulatory requirements, including but not limited to those according to IEC 61511. Summary of the invention

[0012] The object of the present invention is therefore to specify a project planning system and a method for creating a program for monitoring an exothermic reaction in a reactor, which makes it feasible, ie possible to implement the monitoring in a safety-related, programmable logic controller.

[0013] This object is achieved by a project planning system according to patent claim 1 and a method according to patent claim 6. A computer program for monitoring an exothermic reaction in a reactor is the subject of patent claim 11. Advantageous embodiments are respectively the subject of the dependent claims.

[0014] For creating a program, the project planning system according to the invention for creating a program for monitoring an exothermic reaction in a reactor provides:

[0015] at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and

[0016] - At least one second functional module for determining material data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

[0017] In the case of the method according to the invention for creating a program for monitoring an exothermic reaction in a reactor, the program is created from

[0018] at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and

[0019] - at least one second functional module for determining material data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

[0020] The computer program according to the invention for monitoring an exothermic reaction in a reactor comprises:

[0021] at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and

[0022] - at least one second functional module for determining material data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

[0023] This modular structure, the flexible interconnection of the modules and their parameterization make it possible to easily adapt to different process, material and plant variables. Programs can thus be created very efficiently and systematic errors can be avoided.

[0024] In the case of the mathematical model, the determination of the maximum temperature and / or the maximum pressure in the reactor in the case of a runaway reaction is carried out with the aid of the measured values ​​of the components in the reactor and with the aid of the material data, preferably via the determination of the concentration of the components in the reactor. In other words, the mathematical model also contains the determination of the concentrations and first the concentration of the components in the reactor is determined and then on this basis the determination of the maximum temperature and / or the maximum pressure in the reactor is carried out.

[0025] In this case, the second function module can also contain a pure substance equation, but the second module can also be used only for unit conversion, for example.

[0026] In this case, the first function module and / or the second function module can also have plant variables as input variables (eg reactor volume).

[0027] In order to easily obtain and determine the substance data, at least the second functional module preferably comprises an interface for obtaining constants of the equations of the pure substance, in particular from a substance database.

[0028] For simple programming, the functional modules are preferably provided as elements of a library (eg as modules or so-called “module types”).

[0029] According to a particularly advantageous design, the program comprises instructions which, when executed by a computer, cause the computer to perform a method in which, in order to monitor an exothermic reaction in a reactor, the accumulation of at least one reaction component in the reactor is determined, and based on the accumulation, the maximum temperature and / or the maximum pressure in the reactor in the case of a runaway reaction is determined. Here, the accumulation of the reaction component can be determined by means of measured values, such as, for example, the temperature, pressure and / or the speed of sound in the reactor. Preferably, the monitoring is carried out "online" (i.e., in real time) based on "online" measured values.

[0030] As found, if the accumulation of reaction components is determined by means of the measured value of the speed of sound in the reactor, then, it is particularly simple and therefore also suitable for the embodiment in safety-related, programmable logic controller to determine the accumulation of reaction components and the maximum temperature and / or maximum pressure based thereon. The method can be very simply divided into different parts that are built on each other, which can then be implemented as separate functional modules respectively. For example, as input variables, only the measured values, material data and kinetic data of production are needed. For example (automatically or via an operator) material data can be obtained from a material database, such as a VDI thermal manual. Then, in order to determine the maximum temperature and / or maximum pressure, only relatively simple mathematical calculations need to be performed, which can also be implemented in safety-related, programmable logic controllers with limited mathematical feasibility and cyclic program processing.

[0031] In principle, the sound velocity measurement for determining the gas fraction in a gas mixture is already known from the publication "Implementation of Ultrasonic Sensing for High Resolution Measurement of Binary Gas Mixture Fractions" by Bates R. et al. Sensors 2014, 14, 11260-11276; doi: 10.3390 / sl40611260. As found, this sound velocity measurement can also be used very advantageously to measure the amount concentration of substances in the reactor, and from this, for example, the concentration of the reaction components and / or other components in the reactor and their accumulation can be determined with the aid of relatively simple equations.

[0032] In principle, measurements are possible here either in the liquid or in the gas space of the reactor.

[0033] Preferably, the speed of sound refers to the speed of sound in the ultrasonic range, ie, sound waves beyond the threshold of human hearing. As found, this sound range can be measured well and has few interfering factors.

[0034] According to an advantageous embodiment, the maximum temperature and / or the maximum pressure are additionally determined by means of measured values ​​of density, temperature and pressure in the reactor (or by means of variables from which the above variables can be derived). This can further simplify the mathematical calculation of the accumulation of the reaction components and thus further simplify the determination of the maximum temperature and / or the maximum pressure.

[0035] According to a further advantageous embodiment, the concentration of the component in the reactor is determined with the aid of the measured values.

[0036] According to a further advantageous embodiment, when the determined maximum temperature and / or maximum pressure exceeds a threshold value, an output signal for activating a safety reaction is generated. For example, the output signal can trigger an alarm for an operator of the reactor, which then, in turn, triggers a safety reaction, or directly triggers an automatic safety reaction.

[0037] The threshold value is preferably derived from the design limits of the reactor or from limiting values ​​of safety devices of the reactor.

[0038] In the simplest case, a safety response involves reducing or terminating (stopping) the supply of reaction components to the reactor and / or increasing cooling of the reactor.

[0039] Since the risk of a runaway reaction is particularly great in semi-batch operation, the reactor is then used to great advantage when it is operated in semi-batch operation.

[0040] According to a particularly advantageous embodiment, the program is a fail-safe program of a safety-related controller, in particular a safety-related programmable logic controller.

[0041] The project planning system, planning method and computer program described above can also be used in situations in which the accumulation of reaction components is determined, for example, also without sound velocity measurements, for example by means of optical methods or energy balance calculations. In particular, they are suitable for creating fail-safe programs, in particular for safety-related, programmable logic controllers. BRIEF DESCRIPTION OF THE DRAWINGS

[0042] The invention and further advantageous embodiments of the invention according to the features of the dependent claims are explained in more detail below with the aid of exemplary embodiments in the drawings, without being restricted thereto; it is shown in the drawings:

[0043] Figure 1 shows a schematic diagram of a reactor having a controller for monitoring an exothermic reaction in the reactor,

[0044] Figure 2 An example for creating a program for monitoring an exothermic reaction in a reactor is shown. DETAILED DESCRIPTION

[0045] Figure 1 A simplified schematic diagram of a chemical reactor 1 is shown, which has a reaction vessel 2, a plurality of inlets ( Figure 12 , two inlets 3, 4 are shown by way of example, an outlet 5 from a container 2 for the reaction products and a cooling jacket 6, to which a coolant can be supplied via an inlet 7 and can be discharged via an outlet 8. An agitator 9 is arranged in the container 2, which extends axially out of the container and is driven by a motor M. In the container 2, a liquid phase mixture 11 is located at the bottom and a gas space 14 is located at the top.

[0046] Physical variables in the reactor and at the inlet and outlet can be measured using various measured value recorders (sensors). Figure 1 , a pressure sensor P for measuring the pressure in the reactor container 2, a temperature sensor T for measuring the temperature of the liquid mixture 11 in the reactor container 2, a density measuring device D for measuring the average density of the liquid mixture 11, a level measuring device L for measuring the liquid level of the liquid mixture 11, and a sound velocity measuring device S for measuring the sound velocity in the gas space 14. Other measured value recorders can also be present, such as, for example, flow meters in the inlet and outlet, temperature sensors in the cooling jacket 6, etc.

[0047] The controller 10 is used to control and monitor the reactor 1. Preferably, it is a safety-related, fail-safe controller, such as, for example, the applicant's fail-safe SIMATIC S7. The controller acquires the measured values ​​generated by the measured value recorders (sensors), and for this purpose, the controller is connected to the measured value recorders P, T, D, L, S via the schematically shown signal line 12. The controller 10 can control the conveying and discharge of reactants, auxiliary materials, reaction products and coolants again via actuators, such as, for example, valves in the inlet and outlet (see valves 15, 16, 17, 18), and for this purpose, the controller is connected to the actuators via a control line 19.

[0048] In the reactor 1, the reactants react exothermically. For example, the reactor is operated in a semi-batch mode. By means of the fail-safe programming 20 in the controller 10, a model-based, continuous, online method for monitoring the exothermic reaction in the reactor is now implemented, i.e., the monitoring is carried out in real time.

[0049] In the method, the accumulation of at least one reaction component (usually a reactant) in the reactor is determined, and based on this, the maximum temperature and / or the maximum pressure in the reactor in the event of a runaway reaction is determined. The accumulation of the reaction component is determined here by fail-safe programming 20, with the aid of the above-described measured values ​​of the speed of sound, temperature, density and pressure in the reactor 1.

[0050] The measurement of the sound velocity by the sound velocity measuring device S is preferably carried out in the ultrasonic range. For the sound velocity measuring device S, for example, the applicant's Echomax xps-10 ultrasonic sensor in combination with the SITRANS LUT400 ultrasonic evaluation device can be used. The sound velocity measuring device S or the associated sound sensor is, for example, placed above the container 2, and the sound is thus fed into the container from above in the vertical direction, or the sound reflected from the reflective element 22 is received from above. The reflective element 22 is arranged in the gas space 14 in the container 2. However, in principle, it is also feasible to feed or receive the sound in the horizontal direction.

[0051] In order to extend the path and thus to increase the accuracy of the measurement, the sound is deflected in a direction perpendicular to the feed direction (i.e. in the horizontal direction) via a deflection element 23, which is likewise arranged in the gas space 14 in the container 2. The sound thus deflected is then reflected by the reflective element 22 and conveyed back to the sound velocity measuring device S via the same path, only in the opposite direction (i.e. again via the deflection element 23).

[0052] The threshold value for the maximum temperature and / or the maximum pressure is stored in the controller 10. This threshold value is derived, for example, from the design limit value of the reactor or the limit value of the safety device of the reactor. The controller 10 or the fail-safe program 20 now continuously compares the maximum temperature and / or the maximum pressure determined, and in the case of exceeding, then, the operator who can trigger the safety reaction generates an output signal 30 (for example an alarm) or automatically triggers the safety reaction itself. For example, a feasible safety reaction can be to increase the delivery of the coolant to the cooling jacket, or to reduce or terminate the delivery of the reactant to the reactor 1.

[0053] Hereinafter, an example of a chemical reaction for exemplary, but not limited purpose is now explained. Here, it is the esterification of acetic anhydride with methanol to produce acetic acid and methyl acetate (ie, 4 components):

[0054] (CH3CO)2O (l) +CH3OH (l)

[0055] →CH3COOCH 3(l) +CH3COOH (l)

[0056] abbreviation:

[0057] A = acetic anhydride

[0058] B=Methanol

[0059] C = methyl acetate (byproduct)

[0060] D = acetic acid (main product)

[0061] 1) Measurement of the average density of liquids and mixtures via the reciprocal method of the density of the pure substances weighted by mass fraction (e.g. according to VDI WA):

[0062]

[0063] ρ m : Average density of the liquid phase (measured with a density measuring device D)

[0064] ρ i : Density of component i (i = A, B, C, D)

[0065] X i : The mass fraction of component i in the liquid phase (i = A, B, C, D)

[0066] M i : The molar mass of component i in the liquid phase (i = A, B, C, D)

[0067] 2) The pressure in the gas space 14 (composed of the nitrogen blanket and the partial pressures of the components) is measured by means of the pressure sensor P:

[0068]

[0069] p: pressure in the gas space 14 (measured)

[0070] p s i : The saturation pressure of component i (i = A, B, C, D)

[0071] n N2 : The amount of nitrogen

[0072] R: molar gas constant

[0073] T: absolute temperature

[0074] V g : The volume of the gas space

[0075] 3) Measurement of the speed of sound in the gas space 14:

[0076]

[0077] C p,g,i : Specific heat capacity of component i (i = B, C, N2) at constant pressure

[0078] c p,v,i : Specific heat capacity of component i (i = B, C, N2) at constant volume

[0079] p: pressure in the gas space 14

[0080] M i : Molar mass of component i (i = B, C, N2)

[0081] p c s i : Critical saturated vapor pressure of component i

[0082] Note: To simplify the calculation, the components that form relatively little vapor (here component A and component D) are not taken into account in the above formula for the sound measurement.

[0083] 4) Closure conditions for the distribution of components in the liquid phase:

[0084] 1 = x A +x B +x C +x D There are therefore four unknown substance mass fractions (or concentrations) and four equations for these, ie the system is algebraically solvable.

[0085] Further steps are:

[0086] a) Accumulated amount x according to the added amount B B Solve the system of equations.

[0087] b) in a known manner via the amount of substance converted from the accumulated amount x B Determine the accumulated mass concentration c of the added amount B B .

[0088] c) Determine the adiabatic temperature rise with the aid of the accumulated mass

[0089]

[0090] c B = Accumulated substance concentration of added amount B

[0091] Average density of liquid phase

[0092] The average specific heat capacity of all components of the liquid phase

[0093] ΔHR: Reaction enthalpy

[0094] ΔT ad : Adiabatic temperature rise

[0095] d) Using the general gas equation, the temperature rises from an adiabatic temperature increase of ΔT ad Determine the adiabatic pressure increase Δp ad .

[0096] Starting from the current temperature or current pressure in the reactor, the maximum temperature or the maximum pressure in the reactor in the event of a runaway reaction can be determined by means of an adiabatic temperature increase or an adiabatic pressure increase.

[0097] exist Figure 1 In the example of , 4 material components are used or equations for 4 material components are established. Of course, it is also possible to use fewer or more material components or establish corresponding equations for a greater or lesser number of components in a similar manner.

[0098] Figure 2 The creation of a program for monitoring an exothermic reaction in a reactor is shown by way of example, in particular for Figure 1 A fail-safe program 20 in the controller 10 .

[0099] Figure 2 Here a view is shown which is provided to a project engineer for creating a program on a user interface 51 of a project planning system 50. Furthermore, the project planning system 50 comprises a central processing unit 52, such as for example a PC.

[0100] The fail-safe programming comprises a plurality of functional modules 41 , 42 , 43 , 44 .

[0101] The first functional module 41 comprises a mathematical model, such as the model described above by way of example, for determining the maximum temperature and / or the maximum pressure in the case of a runaway reaction with the aid of material data of the components in the reactor and with the aid of measured values. If necessary, further functional models can also be supplemented for determining the maximum temperature and / or the maximum pressure in the case of a runaway reaction with the aid of material data of the components in the reactor and with the aid of measured values.

[0102] Function modules 42, 43, 44 are used to determine and provide material data (and if necessary, additional kinetic data) for one or more components in the reactor of function module 41, function module 42 is used to determine the vapor pressure, function module 43 is used to determine the density, and function module 44 is used to determine the heat capacity. According to requirements, further function modules can also be supplemented to determine and provide material data (and if necessary, additional kinetic data) for one or more components in the reactor.

[0103] In order to determine the substance data (and, if necessary, further kinetic data), pure substance equations are stored in each functional module 41 , 42 , 43 , 44 .

[0104] Each functional module 41, 42, 43, 44 has an input E1 for measured values ​​and an input E2 for constants of the pure substance equations. In addition, there can be an input E4 for plant variables (eg reactor volume).

[0105] The constants of the pure substance equations can be acquired, for example, by an operator or automatically from a pure substance database, such as, for example, from the VDI Thermal Manual.

[0106] Each function module 42, 43, 44 has an output A1 for the determined material data, which is again connected to the corresponding input E3 of the function module 41. The function module 41 has an output A2, which, for example, already outputs information about the exceeding of a threshold value, i.e., information about a future dangerous situation. However, for example, only the determined maximum temperature and / or maximum pressure can be output via the output A2 and a comparison with a threshold value can be performed outside the function module 41.

[0107] Here, the outputs A1, A2 can also include a BAD signal, which reports an erroneous calculation. For example, the function modules 42, 43, 44 are each connected to the function module 41 via a BAD signal, so that in the event of an erroneous calculation, the function module 41 also has a BAD signal at the output A2, which can be output as an alarm to the operator.

[0108] Preferably, the function modules are provided as elements of a module library (so-called module features) for fail-safe programming of control unit 10 .

[0109] Due to the described modular structure, the project engineer can flexibly select the required modules from the library for his respective application, interconnect them with one another and parameterize them. As a result, the creation of programs can be carried out very efficiently and without systematic errors.

[0110] The program can, but does not have to, be used in a safety-related controller. For example, the program can also be used as a monitoring function in a non-safety-related application (eg, a cloud-based application). For example, the application can be used to monitor product quality.

Claims

1. A project planning system for creating a program for monitoring an exothermic reaction in a reactor, wherein: To create the program, the project planning system provides: at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and - at least one second functional module for determining the substance data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

2. The project planning system according to claim 1, wherein: The program is a fail-safe program of a safety-related controller, in particular a safety-related programmable logic controller.

3. The project planning system according to any one of claims 1 to 2, wherein: At least the second functional module comprises an interface for obtaining constants of pure substance equations, in particular from a substance database.

4. The project planning system according to any one of claims 1 to 3, wherein: The function modules are provided as elements in a library for fail-safe programming of controllers.

5. The project planning system according to any one of claims 1 to 4, wherein: The program comprises instructions which, when executed by a computer, cause the computer to perform a method in which, in order to monitor the exothermic reaction in the reactor, an accumulation of at least one reaction component in the reactor is determined, and based on the accumulation, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction is determined.

6. A method for creating a program for monitoring an exothermic reaction in a reactor, wherein: The program was created from at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and - at least one second functional module for determining the substance data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

7. The method according to claim 6, wherein: The program is a fail-safe program of a safety-related controller, in particular a safety-related programmable logic controller.

8. The method according to any one of claims 6 to 7, wherein: At least the second functional module comprises an interface for obtaining constants of pure substance equations, in particular from a substance database.

9. The method according to any one of claims 6 to 8, wherein: The function modules are provided as elements in a library for fail-safe programming of controllers.

10. The method according to any one of claims 6 to 9, wherein: The program comprises instructions which, when executed by a computer, cause the computer to perform a method in which, in order to monitor the exothermic reaction in the reactor, an accumulation of at least one reaction component in the reactor is determined, and based on the accumulation, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction is determined.

11. A computer program for monitoring an exothermic reaction in a reactor, the computer program comprising: at least one first functional module having a mathematical model for determining, based on measured values ​​and based on material data of the components in the reactor, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction, preferably by determining the concentration of the components in the reactor, and - at least one second functional module for determining the substance data, in particular heat capacity, density, vapor pressure, conductivity, solubility and / or viscosity, of one or more components in the reactor.

12. The computer program according to claim 11, wherein: The program is a fail-safe program of a safety-related controller, in particular a safety-related programmable logic controller.

13. A computer program according to any one of claims 11 to 12, wherein: At least the second functional module comprises an interface for obtaining constants of pure substance equations, in particular from a substance database.

14. A computer program according to any one of claims 11 to 13, wherein: The function modules are provided as elements in a library for fail-safe programming of controllers.

15. A computer program according to any one of claims 11 to 14, wherein: The program comprises instructions which, when executed by a computer, cause the computer to perform a method in which, in order to monitor the exothermic reaction in the reactor, an accumulation of at least one reaction component in the reactor is determined, and based on the accumulation, a maximum temperature and / or a maximum pressure in the reactor in the event of a runaway reaction is determined.

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