Patent Publication Number: US-2019196418-A1

Title: Method for operating a facility designed for performing at least one chemical reaction

Description:
CROSS-REFERENCE TO RELATED APPLICATIONS 
     This application is a Divisional Application of U.S. patent application Ser. No. 15/036,439, filed 13 May 2016, which is a National Stage entry of International Application No. PCT/EP2014/074268, filed 11 Nov. 2014, which claims priority to European Patent Application No. 13193132.1, filed Nov. 15, 2013. Each of these applications is incorporated by reference in its entirety. 
    
    
     The work which led to this invention was sponsored by grant agreement no. 228867 as part of the European Union&#39;s seventh framework program RP7/2007-2013. 
    
    
     BACKGROUND 
     The present invention relates to a method of operating a plant set up for performing at least one chemical reaction. 
     The invention further relates to a computer program comprising program code means stored on a computer-readable data storage medium, to a data storage medium and to a computer system. 
     In order to perform a chemical reaction for producing a particular chemical product it is necessary to provide a production plant having an individually designed plant structure. In order to be able to carry out the process steps required from a process engineering perspective in individual process stages, technically suitable process reactors must be selected and combined with one another to form a production plant. 
     There are typically a great many process reactors available and there are generally also various process reactors present with which a particular process step may be carried out. The planning of a production plant in terms of its technical configurations and its economic viability is therefore very complex. There is therefore a need to simplify the planning of economically and technically optimized production plants. 
     It is an object of the invention to facilitate rapid and optimal planning of a plant set up for performing at least one chemical reaction taking into account the largest possible multiplicity of boundary conditions. 
     SUMMARY 
     This object is achieved by a method, a computer program, a data storage medium and a computer system having features disclosed hereinafter. Preferred embodiments are set forth throughout the present disclosed which may each constitute an aspect of the invention on their own or in any desired combination with one another. 
     DETAILED DESCRIPTION OF A PREFERRED EMBODIMENT 
     The present disclosure is directed to a method of operating a plant set up for performing at least one chemical reaction, wherein said method comprises providing process reactors of optimal technical and economic suitability for forming the production plant and wherein this providing operation comprises selecting in at least partially automated fashion the process reactors of optimal technical and economic suitability for forming the production plant from a multiplicity of process reactors taking account of reactor-specific technical parameters assigned to the process reactors of the multiplicity of process reactors and recorded in a database and of predefined process-specific technical criteria by performing at least one selection step for each process reactor of the multiplicity of process reactors which comprises verifying whether at least one reactor-specific technical parameter assigned to this process reactor and/or at least one process-specific and reactor-specific technical target value derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils at least one process-specific technical criterion. 
     The operation of providing the process reactors of optimal technical and economic suitability for forming the production plant comprises not only physical provision but also, in particular, the provision of reactor-specific technical parameters for a multiplicity of process reactors in a reactor database. Individual process reactors of optimal technical and economic suitability for forming a particular production plant may be selected from this reactor database in the course of the at least partially automated selecting operation. This selecting operation takes account not only of the reactor-specific technical parameters but also of predefined process-specific technical criteria. The process-specific technical criteria may be of a very wide variety of types. For example, process-specific technical criteria may be in the form of boundary conditions to be met for process steps to be carried out. 
     The at least partially automated selecting operation comprises performing at least one selection step for each process reactor of the multiplicity of process reactors which comprises verifying whether at least one reactor-specific technical parameter assigned to this process reactor and/or at least one process-specific and reactor-specific technical target value derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils at least one process-specific technical criterion. A process-specific and reactor-specific technical target value may be, for example, a process reactor dwell time resulting from a model equation and this target value may be derived taking account of the reactor volume as a reactor-specific technical parameter and of a planned volume flow and maximum permissible dwell times as process-specific technical parameters. When a process-specific and reactor-specific technical target value is derived without taking account of a process-specific technical parameter, the target value may be provided, for example, directly via a reactor-specific technical parameter, for example a reactor temperature or the like. 
     The at least partially automated selecting operation may also comprise two or more selection steps. A partially automated selecting operation may comprise selecting a plurality of suitable process reactors and providing this selection, for example as a graphical representation, to planning staff in order that the planning staff may carry out a final selection step. The selecting operation may alternatively be effected in fully automatic fashion by final selection of a particular process reactor/a particular combination of process reactors without intervention by planning staff. 
     In an advantageous embodiment the at least partially automated selecting operation comprises at least two successive selection steps, wherein said selection steps differ from one another at least in the respective process-specific technical criteria and the reactor-specific technical parameters/process-specific and reactor-specific technical target values compared therewith. For example a first selection step may comprise selecting process reactors having permissible dwell times from the multiplicity of process reactors, at least one process reactor having a permissible operating pressure then being selected from these selected process reactors. The number of possible selection steps may increase with increasing number of available parameters of different types. 
     In a further advantageous embodiment the at least partially automated selecting of the process reactors of optimal technical and economic suitability for forming the production plant from the multiplicity of process reactors is carried out taking account of technical information concerning possible serial and/or parallel arrangements of process reactors stored in a database. Arranging process reactors/reactor channels formed by process reactors in parallel allows the production capacity of a reactor channel to be increased. Arranging process reactors/reactor channels in parallel and/or series moreover allows process volume and dwell time to be increased. This is taken into account in this embodiment of the method. 
     A further advantageous embodiment provides that the process-specific technical criterion is defined by a process-specific threshold parameter which when exceeded or fallen below results in the process engineering criterion being met or by a process-specific parameter range which when adhered to results in the process engineering criterion being met. Comparison of reactor-specific technical parameters and/or process-specific and reactor-specific technical target values with the process-specific threshold parameter/the process-specific parameter range makes it possible to determine whether a process-specific technical criterion has been met. 
     The process-specific technical criterion advantageously takes into account whether
         a mass throughput through a process reactor required to perform a particular chemical reaction is possible,   a dwell time for a process reactor for performing a particular chemical reaction is permissible,   an operating pressure and/or a pressure drop for a process reactor for performing a particular chemical reaction is permissible,   a heat transfer performance for a process reactor for performing a particular chemical reaction is permissible,   suitable kinetics of reaction and mixing are present in a reactor during performance of a particular chemical reaction,   thermally safe operation of a process reactor during performance of a particular chemical reaction is ensured,   a temperature at a hotspot in a process reactor for performing a particular chemical reaction is permissible, or   sufficiently thorough initial mixing of reactants by means of a process reactor during performance of a particular chemical reaction is achievable. Which of these process-specific technical criteria are taken into account depends on the particular circumstances, requirements and technical configurations of process reactors.       

     The present disclosure is also directed to a computer program comprising program code means stored on a computer-readable data storage medium which prompt a computer or an appropriate processing unit to carry out a method according to any of the abovementioned embodiments or any desired combination thereof when they are run on the computer/the appropriate processing unit. The abovementioned advantages cited in connection with the method apply correspondingly to this computer program. 
     Moreover, the present disclosure is directed to a data storage medium comprising an abovementioned computer program. The abovementioned advantages cited in connection with the method/the computer program apply correspondingly to this data storage medium. 
     Furthermore, the present disclosure is directed to a computer system having an abovementioned computer program loaded onto it. The abovementioned advantages cited in connection with the method/the computer program apply correspondingly to this computer system. 
     The invention is elucidated hereinbelow by way of example with reference to the accompanying figures with the aid of preferred exemplary embodiments and the features specified below may constitute an aspect of the invention either on their own or in combination with one another. 
    
    
     
       BRIEF DESCRIPTION OF THE DRAWINGS 
         FIG. 1  shows: a schematic representation of an exemplary procedure for a method according to the invention, 
         FIG. 2  shows: a schematic representation of a further exemplary procedure for a method according to the invention and 
         FIG. 3  shows: a schematic representation of a further exemplary procedure for a method according to the invention. 
     
    
    
       FIG. 1  shows a schematic representation of an exemplary procedure for a method according to the invention, wherein this embodiment comprises selecting in at least partially automated fashion process reactors of optimal technical and economic suitability for forming a desired production plant in the form of dwell time channel reactors from a multiplicity of process reactors taking account of reactor-specific technical parameters assigned to the process reactors of the multiplicity of process reactors and recorded in a database and of predefined process-specific technical criteria. The at least partially automated selecting operation comprises seven successive selection steps, wherein said selection steps differ from one another at least in the respective process-specific technical criteria and the reactor-specific technical parameters/process-specific and reactor-specific technical target values compared therewith. 
     Maintenance of the database to which recourse is made for selection of process reactors is performed in an upstream step  10 . This maintenance comprises inputting at least reactor-specific technical parameters into the database in manual or automated fashion. 
     Step  20  comprises performing a first selection step which comprises verifying for each process reactor of the multiplicity of process reactors whether at least one reactor-specific technical parameter assigned to this process reactor in the form of a parameter range for the possible mass throughput through the process reactor fulfils a process-specific technical criterion, namely whether a planned mass throughput through a process reactor necessary for performing a particular chemical reaction is possible. If a planned mass throughput through a process reactor cannot be achieved it is possible to verify whether a small adjustment of the planned mass throughput is possible in order to achieve a mass throughput in the reactor-specific parameter range for the possible mass throughput through the process reactor. The result of step  20  is a selection of process reactors exhibiting permissible mass throughputs. 
     Step  30  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  20  whether a process-specific and reactor-specific technical target value in the form of a dwell time for the particular process reactor and derived using a model equation from a reactor-specific technical parameter assigned to this process reactor in the form of the particular reactor volume and from process-specific technical parameters in the form of a parameter range for permissible dwell times and a planned volume flow fulfils a process-specific technical criterion, namely whether the dwell time is in the parameter range for permissible dwell times. If the dwell time of a process reactor is not in the parameter range for permissible dwell times it is possible to verify whether a small adjustment of the planned mass throughput is possible in order to achieve the parameter range for permissible dwell times. The result of step  30  is a further selection of process reactors exhibiting a permissible dwell time. 
     Step  40  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  30  whether a reactor-specific technical parameter assigned to this process reactor in the form of a possible operating pressure in the process reactor fulfils a process-specific technical criterion, namely whether the process reactor operating pressure and/or a pressure drop derived therefrom is permissible for performing a particular chemical reaction. The result of step  40  is a further selection of process reactors exhibiting a permissible operating pressure/a permissible pressure drop. 
     Step  50  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  40  whether a process-specific and reactor-specific technical target value derived from a reactor-specific technical parameter assigned to this process reactor in the form of geometric properties of the process reactor and from at least one process-specific technical parameter in the form of a planned mass throughput fulfils a process-specific technical criterion, namely whether flow conditions in the process reactor are suitable for performing the desired chemical reaction. This makes it possible to compare process reactors having different geometric properties. The result of step  50  is a further selection of process reactors exhibiting suitable flow conditions. 
     Step  60  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  50  whether a process-specific and reactor-specific technical target value in the form of a possible heat transfer performance of the process reactor and derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils a process-specific technical criterion, namely whether a heat transfer performance of a process reactor is permissible for performing a particular chemical reaction. The result of step  60  is a further selection of process reactors exhibiting suitable heat transfer performance. 
     Step  70  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  60  whether a process-specific and reactor-specific technical target value in the form of kinetics of reaction and mixing in the process reactor during performance of a particular chemical reaction and derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfills a process-specific technical criterion, namely whether suitable reaction and mixing kinetics are present in the reactor during performance of a particular chemical reaction. This can also verify whether sufficiently thorough initial mixing of reactants by means of the process reactor during performance of a particular chemical reaction is achievable. The result of step  70  is a further selection of process reactors exhibiting suitable reaction and mixing kinetics in the reactor during performance of a particular chemical reaction. 
     Step  80  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  70  whether a process-specific and reactor-specific technical target value derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils a process-specific technical criterion, namely whether thermally safe operation of the process reactor during performance of a particular chemical reaction is ensured. This can also verify whether a temperature at a hotspot in the particular process reactor for performing a particular chemical reaction is permissible. The result of step  80  is a further selection of process reactors which ensure thermally safe operation of the process reactor during performance of a particular chemical reaction. 
       FIG. 2  shows a schematic representation of an exemplary procedure for a method according to the invention, wherein this embodiment comprises selecting in at least partially automated fashion process reactors of optimal technical and economic suitability for forming a desired production plant in the form of mixing units from a multiplicity of process reactors taking account of reactor-specific technical parameters assigned to the process reactors of the multiplicity of process reactors and recorded in a database and of predefined process-specific technical criteria. The at least partially automated selecting operation comprises two successive selection steps, wherein said selection steps differ from one another at least in the respective process-specific technical criteria and the reactor-specific technical parameters/process-specific and reactor-specific technical target values compared therewith. 
     Maintenance of the database to which recourse is made for selection of process reactors is performed in upstream step  110 . This maintenance comprises inputting at least reactor-specific technical parameters into the database in manual or automated fashion. 
     Step  120  comprises performing a selection step which comprises verifying for each process reactor of the multiplicity of process reactors whether a reactor-specific technical parameter assigned to this process reactor in the form of a possible operating pressure in the process reactor fulfils a process-specific technical criterion, namely whether the process reactor operating pressure and/or a pressure drop derived therefrom is permissible for performing a particular chemical reaction. The result of step  120  is a further selection of process reactors exhibiting a permissible operating pressure/a permissible pressure drop. 
     Step  130  comprises selecting a separate process reactor which does not have a dwell time sector arranged downstream thereof. 
       FIG. 3  shows a schematic representation of an exemplary procedure for a method according to the invention, wherein this embodiment comprises selecting in at least partially automated fashion process reactors of optimal technical and economic suitability for forming a desired production plant in the form of continuous stirred tank reactors from a multiplicity of process reactors taking account of reactor-specific technical parameters assigned to the process reactors of the multiplicity of process reactors and recorded in a database and of predefined process-specific technical criteria. The at least partially automated selecting operation comprises four successive selection steps, wherein said selection steps differ from one another at least in the respective process-specific technical criteria and the reactor-specific technical parameters/process-specific and reactor-specific technical target values compared therewith. 
     Maintenance of the database to which recourse is made for selection of process reactors is performed in upstream step  210 . This maintenance comprises inputting at least reactor-specific technical parameters into the database in manual or automated fashion. 
     Step  220  comprises performing a selection step which comprises verifying for each process reactor of the multiplicity of process reactors whether a reactor-specific technical parameter assigned to this process reactor in the form of a possible operating pressure in the process reactor fulfils a process-specific technical criterion, namely whether the process reactor operating pressure and/or a pressure drop derived therefrom is permissible for performing a particular chemical reaction. The result of step  220  is a further selection of process reactors exhibiting a permissible operating pressure/a permissible pressure drop. 
     Step  230  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  220  whether a process-specific and reactor-specific technical target value in the form of a dwell time for the particular process reactor and derived using a model equation from a reactor-specific technical parameter assigned to this process reactor in the form of the particular reactor volume and from process-specific technical parameters in the form of a parameter range for permissible dwell times and a planned volume flow fulfils a process-specific technical criterion, namely whether the dwell time is in the parameter range for permissible dwell times. If the dwell time of a process reactor is not in the parameter range for permissible dwell times it is possible to verify whether a small adjustment of the planned mass throughput is possible in order to achieve the parameter range for permissible dwell times. The result of step  230  is a further selection of process reactors exhibiting a permissible dwell time. 
     Step  240  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  230  whether a process-specific and reactor-specific technical target value in the form of a possible heat transfer performance of the process reactor and derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils a process-specific technical criterion, namely whether a heat transfer performance of a process reactor is permissible for performing a particular chemical reaction. The result of step  240  is a further selection of process reactors exhibiting suitable heat transfer performance. 
     Step  250  comprises performing a further selection step which comprises verifying for each process reactor of the selection of process reactors obtained in step  240  whether a process-specific and reactor-specific technical target value derived from a reactor-specific technical parameter assigned to this process reactor in the form of geometric properties of the process reactor and from at least one process-specific technical parameter in the form of a planned mass throughput fulfils a process-specific technical criterion, namely whether flow conditions in the process reactor are suitable for performing the desired chemical reaction. This makes it possible to compare process reactors having different geometric properties. The result of step  250  is a further selection of process reactors exhibiting suitable flow conditions.