Simulation of unit operation of a chemical plant for acid gas removal

Abstract

The present invention relates to a method for determining the unit operation of a chemical device for removing acidic gases, the method being executed by a computer or a distributed computer system, and the method comprising the following steps: providing (S1) a first set of parameters for the unit operation; providing (S2) a second set of parameters for the unit operation based on the provided first set of parameters and based on data retrieved from a database; determining (S3) a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model comprises a set of equations defining the unit operation of the chemical device; selecting (S4) a starting point for an equation-based solution method for the set of equations, wherein the starting point is at least partially selected from: -i) a first set of parameters; -ii) a second set of parameters; and -iii) data retrieved from a database; determining (S5) the resulting settings for the unit operation of the chemical device using an equation-based solution method for the set of equations initialized by the selected starting point.

Description

Technical Field

[0001] The invention relates to a method for determining the operation of a unit of a chemical plant for removing acid gases, a corresponding system and a corresponding computer program product. Background of the Invention

[0003] Simulation of chemical processes is commonly used in chemical and process engineering to simulate and determine the general flow of plant processes, products and equipment in a chemical plant.

[0004] US 20120029890A1 describes a method for designing or optimizing a tower for a separation process, comprising a computer-implemented step of providing in a digital processor an expression for a vapor side and a liquid side mass transfer coefficient and an expression for a mass transfer area relative to a subject tower, wherein the expression for the vapor side and the liquid side mass transfer coefficient and the expression for the mass transfer area are derived by defining an average tower height equivalent to a theoretical plate as a mathematical relationship. The expression is further derived from a reduced error in curve fitting empirical data of each tower. The method also includes using the provided expression to determine a tower height and tower width configuration of the subject tower, and outputting the determined tower height and tower width configuration of the subject tower.

[0005] EP 2534592A2 describes a method and system comprising an input module capable of user-specifying a subject facility design based on limited data. The subject facility design comprises design alternatives, and a processor routine coupled to the input module and responding to the user specification by forming an input data set to a rigorous simulation modeler to model the subject facility design. The rigorous simulation modeler requires input of more than just the limited data.

[0006] US 7367018B2 describes a method and apparatus for managing process and plant engineering data for chemical or other engineering processes across applications. The method and apparatus include a corresponding class view, a composite class view, a conceptual data model, and a resulting merged multi-layer data model for each of a plurality of application software. The multi-layer data model enables the sharing of engineering and other data from a plurality of application software with other process and plant engineering applications and programs.

[0007] It is therefore an object of the present invention to provide an improved design for the unit operation of a chemical plant for the removal of acid gases.

[0008] Brief description of the invention

[0009] The above and other objects are solved by the subject matter of the present invention.

[0010] According to a first aspect of the present invention, a method for determining the unit operation of a chemical device for removing acidic gases is provided, in particular, the method is a computer-implemented method, wherein the method is executed by a computer or a distributed computer system, and wherein the method comprises the following steps: a first set of parameters for the unit operation is provided or received by a processing device; a second set of parameters for the unit operation is provided or identified by the processing device based on the provided or received first set of parameters and based on data retrieved from a database; a digital model of the chemical device is determined or generated by the processing device based on the first set of parameters and the second set of parameters, wherein the digital model comprises a set of equations defining the unit operation of the chemical device; a starting point for an equation-based solution method for the set of equations is selected by the processing device, wherein the starting point is at least partially selected from: -i) a first set of parameters; -ii) a second set of parameters; and -iii) data retrieved from a database; and a resulting setting for the unit operation of the chemical device is determined by the processing device using an equation-based solution method for the set of equations initialized by the selected starting point.

[0011] Determination of the unit operation of a chemical device for removing acid gases includes, for example, determining operating and / or dimensioning parameters of a chemical device or a gas treatment device for treating an inlet gas stream with a treatment solution to provide a treated outlet stream, preferably an acid gas removal device for removing one or more acid gas components from an inlet gas stream with a treatment solution to provide a treated outlet stream, which comprises one or more gas treatment units.

[0012] The present invention provides for determining the unit operation of one or more gas processing units of a chemical plant by treating a process flow diagram as a set of equations to be solved simultaneously. Certain embodiments of the present invention provide a database that serves as a basis for improving the selection of starting distributions by identifying previously solved simulations and previously successfully used starting distributions of the provided solutions. Therefore, the database is advantageously isolated from user interaction. Certain embodiments of the present invention advantageously provide for powerful and determination of convergence criteria to solve systems of equations and powerful custom modeling based on user input. Certain embodiments of the present invention further advantageously provide for online, on-site, real-time determination of convergence criteria to solve systems of equations for designing chemical plants. Certain embodiments of the present invention further advantageously provide a graphical user interface that reduces the amount of information presented to the user, thereby improving the usability of the graphical user interface by allowing the user to more efficiently specify input parameters.

[0013] In other words, a method for determining unit operation of a chemical device for removing acid gases may include the following steps:

[0014] The input parameters may be provided by a user and may be sent by a client device to a simulation server, such as a determination server.

[0015] The input parameters can be used by the determination server to build the system of equations.

[0016] The system of equations may be represented by MESH (abbreviation for material balance, equilibrium relation, summation equation, heat balance) or by MERSHQ equations (abbreviation for material balance, energy balance, mass and heat transfer rate equations, summation equations, hydraulic equations for pressure drop, equilibrium equations). In addition, the input parameters may be stored by the database server in a volatile or non-volatile storage medium to remain accessible for subsequent generation of a starting profile based on the starting profile corresponding to the starting point plus metadata.

[0017] The system of equations is solved by reaching a convergence criterion via a simulation run by a determination server based on input parameters provided by the user, and the final solution includes all variables to be determined for the system of equations.

[0018] To generate the starting distribution, the final solution determined by the determination server using all determined variables can be stored by the database server as the starting point (i.e., all variables). In addition, metadata including input parameters is stored by the database server and associated with the corresponding starting point of a specific identical simulation run.

[0019] According to one embodiment of the invention, the first set of parameters for the operation of the unit comprises at least one relative parameter.

[0020] According to one embodiment of the invention, the second set of parameters for the operation of the unit comprises at least one relative parameter.

[0021] According to an embodiment of the invention, said data comprises at least one relative parameter.

[0022] The term "relative parameter" as defined in the present invention is to be understood as the ratio of at least two corresponding parameters, which are dependent on (i) any throughput of the chemical device - mass throughput or volume throughput, or on (ii) any geometry or dimension or measurement of the chemical device, for example.

[0023] The term "input parameter" as defined in the present invention may be understood as any parameter provided by a user who simulates or designs a chemical device.

[0024] The term "obtained configuration" as defined herein may be understood as any data set of variables and constants of a given set of equations to be solved simultaneously for providing design modeling of a chemical device by determining a convergence criterion for solving the set of equations.

[0025] The term "starting distribution" as defined in the present invention may be understood as a data structure including a starting point and any other metadata.

[0026] The present invention advantageously enables optimized modeling and subsequent design of a gas processing plant, preferably an acid gas removal plant, based on the modeled and determined parameters.

[0027] For example, relative parameters are introduced, which enables a simpler design process, because relative parameters are problem or function driven, while corresponding parameters require the user to convert the problem or function driven specification of the gas processing device into specific structural or operating parameters. In addition, design constraints are easier to foresee in terms of relative (e.g., function driven) parameters than in terms of any structural, dimensional or operating parameters. Therefore, the ability to produce physically meaningful results is greatly enhanced. In particular, no expert knowledge is required to perform the determination of the operating and / or dimensional parameters of the gas processing device, because no expert knowledge is required to specify.

[0028] Furthermore, by introducing relative parameters, any dependency of the input parameters is reduced or returned so as to more robustly and stably determine the sizing and / or operating parameters that are implemented in the gas processing device to be physically constructed. Thus, the complexity of the design process is reduced in view of the number of iterations required to find physically and chemically meaningful operating and / or sizing parameters. Thus, when the computer program is loaded into the processing system and executed, it transforms the system as a whole from a general purpose computing system to a dedicated computing system customized for the environment, thereby providing a simplified and more efficient gas processing device design.

[0029] Relative parameters used herein, for example, relate to corresponding parameters. The relative parameter itself is independent of the device throughput, and the corresponding parameter itself depends on the device throughput or on the gas processing unit geometry. In a specific example, the relative parameter may be independent of the device scale, the physical size of the gas processing device, the gas processing unit geometry and / or the capacity of the gas processing device. The relative parameter may be a function parameter, which, in contrast to the corresponding parameter, is not directly related to the device throughput, the device scale, the physical size of the gas processing device, the gas processing unit geometry and / or the capacity of the gas processing device. An example is the hydraulic load in the absorber as a relative parameter. This parameter is a function parameter in which the criterion is specified as the distance from the flooding rather than the absorber diameter. In contrast, the corresponding parameter (in this example, the absorber diameter) is directly related to the device throughput, the device scale and / or the capacity of the gas processing device. Although the specification of an inappropriate absorber diameter may lead to flooding conditions and unstable or physically meaningless operating conditions, the specification of the hydraulic load, for example, by a safety factor less than 1 and greater than 0.5, inherently avoids the design of unstable or unreasonable conditions.

[0030] According to one embodiment of the invention, the method further comprises the step of storing, by the processing device, the selected starting point and the determined resulting settings for the unit operation of the chemical plant in a database.

[0031] According to another embodiment of the present invention, the step of selecting a starting point for the equation-based solution method of the system of equations comprises at least partially selecting a starting point of a previously executed equation-based solution method of the system of equations stored in a database.

[0032] According to another embodiment of the present invention, the step of at least partially selecting a starting point of a previously executed equation-based solution method for a set of equations stored in a database includes comparing the determined and stored resulting settings of the previously executed equation-based solution method with the desired settings for the determined current method, wherein optionally, the first set of parameters for the unit operation includes the desired settings.

[0033] According to one embodiment of the present invention, the first set of parameters for the operation of the unit is provided or received by a client device; and / or wherein the second set of parameters for the operation of the unit is provided or identified by a determination server; and / or wherein the data is provided by a database server.

[0034] According to another embodiment of the present invention, the step of providing or identifying a second set of parameters for the operation of the unit based on the first set of parameters comprises:

[0035] i) providing or identifying at least one parameter that is not specified by the first set of parameters; and / or

[0036] ii) providing or identifying at least one parameter, the at least one parameter being a complementary parameter of the first set of parameters.

[0037] According to yet another embodiment of the invention, providing or identifying a second set of parameters for unit operation based on the first set of parameters comprises determining unspecified or complementary parameters of the first set of parameters using chemical parameters specified by data retrieved from a database.

[0038] According to yet another embodiment of the present invention, metadata may be supplemented to include more than input parameters. The additional metadata may include, for example:

[0039] i) In case the user specifies a stripping steam ratio in the input

[0040] As a parameter of the relative parameter, the simulation determines the correspondence of the reboiler duty, so the determined reboiler duty can be stored as additional metadata; this way, if in another simulation run the user provides a reboiler duty instead of the stripping steam ratio, the starting distribution can be found.

[0041] ii) This applies to all relative parameters provided as input

[0042] parameter and the resulting corresponding parameter and vice versa. In fact, the completion of the metadata may even unambiguously identify the relative parameter even if the corresponding parameter is provided as an input parameter.

[0043] According to another embodiment of the present invention, when looking for the starting distribution, the first step is to filter the potential available starting distribution. This filtering can be very rough, considering only a subset of input parameters (such as solvent, configuration or structural parameters). According to another embodiment of the present invention, in a second step, the potential available starting distribution is ranked based on the full set of input parameters. This allows more efficient selection and access. Further filtering and ranking can be applied. The core here is to reduce processing complexity and burden.

[0044] Metadata is therefore any data associated with a starting point and, as an advantage of the invention, enables the selection of a specific starting distribution. As input parameters, for example, configuration parameters are provided. The configuration parameters may further specify the type of column, such as a packed bed or a plate column, the number of sections in the column, pressure conditions such as the pressure drop in the column, temperature conditions or the type of distributor for the liquid process solution.

[0045] According to yet another embodiment of the invention, the configuration parameters may specify the interconnection of the gas treatment and / or process units and their representative streams comprised in the gas processing plant. Furthermore, the configuration parameters may be fully or partially predefined, thereby providing a fixed set of possible configurations.

[0046] The predefined configurations may be stored in a database and may be identified in the process specific input parameters by one or more identifiers representing the corresponding configuration parameters. The predefined configuration parameters guide the user by reducing the problem space and result in a more robust and stable determination of the operating and / or dimensional parameters. In embodiments where the configurations are not completely predefined, the method may include a validation step to ensure that a reasonable configuration is defined by the user.

[0047] According to another embodiment of the present invention, the type of metadata can be descriptive, for example, defining the configuration of an industrial application type such as ammonia, LNG, natural gas application, solvent or adsorption medium, the main configuration of the process, such as how many absorbers, HP flashers, heat exchangers.

[0048] Structural metadata can also be viewed in the latter sense, since the configuration includes the device structure, such as the device flow, as well as processing elements, such as absorber internals.

[0049] According to a second aspect of the present invention, there is provided a system for determining unit operation of a chemical device preferably for removing acid gases, which preferably comprises a determination server communicatively coupled to a client device and a database server comprising a database, the system comprising:

[0050] i) a client device configured to provide or receive a first set of parameters for operation of the unit;

[0051] ii) a database server comprising a database configured to provide or identify data;

[0052] iii) a determination server configured to provide or identify a second set of parameters for the operation of the units based on the provided first set of parameters and based on data from a database or retrieved by a database server, wherein the determination server is further configured to determine or generate a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model comprises a set of equations defining the operation of the units of the chemical device;

[0053] wherein the determining server is further configured to select a starting point for the equation-based solution method for the system of equations, wherein the starting point is at least partially selected from:

[0054] -i) The first set of parameters;

[0055] -ii) a second set of parameters; and

[0056] -iii) data retrieved from the database;

[0057] Wherein the determination server is further configured to determine resulting settings for unit operations of the chemical device using an equation-based solution method for a system of equations initialized by a selected starting point.

[0058] According to one embodiment of the second aspect, there is provided a system for determining a unit operation of a chemical plant preferably for removing acid gases, the system comprising:

[0059] a determination server communicatively coupled to the client device and a database server comprising a database, wherein the determination server is configured to:

[0060] providing or receiving a first set of parameters for operation of the unit;

[0061] providing or identifying a second set of parameters for operation of the unit based on the first set of parameters and based on data retrieved from a database server;

[0062] determining or generating a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model includes a set of equations defining unit operations of the chemical device;

[0063] selecting a starting point for an equation-based solution method for the system of equations, wherein the starting point is selected at least in part from:

[0064] i) a first set of parameters;

[0065] ii) a second set of parameters; and

[0066] iii) data retrieved from the database; and

[0067] The resulting settings for the unit operation of the chemical plant are determined using an equation-based solution method of a system of equations initialized by the selected starting point.

[0068] According to another embodiment of the present invention, the system is further configured to store the selected starting point of the unit operation of the chemical device and the determined resulting settings in a database of a database server.

[0069] According to another embodiment of the present invention, the determination server is further configured to select a starting point of the equation-based solving method for the system of equations by at least partially selecting a starting point of a previously executed equation-based solving method for the system of equations stored in a database.

[0070] According to another embodiment of the present invention, the determination server is further configured to at least partially select a starting point of a previously executed equation-based solution method for a set of equations stored in a database by comparing the determined and stored resulting settings of the previously executed equation-based solution method with the desired settings for the current method being determined, wherein optionally, the first set of parameters for the operation of the unit includes the desired settings.

[0071] According to another embodiment of the present invention, the determining server is further configured to provide or identify a second set of parameters for the operation of the unit based on the first set of parameters, comprising:

[0072] i) providing or identifying at least one parameter, said at least one parameter not specified by said first set of parameters; and / or

[0073] ii) providing or identifying at least one parameter which is a complementary parameter of the first set of parameters.

[0074] According to another embodiment of the invention, the determination server is further configured to provide or identify a second set of parameters for unit operation based on the first set of parameters by determining unspecified or complementary parameters of the first set of parameters using chemical parameters as specified by the data.

[0075] In one embodiment, a method may include designing and assembling a chemical device based on operational and / or dimensional parameters determined by one or more of the methods described herein. In another embodiment, a method may include producing a chemical product using a chemical device.

[0076] It should be understood that the embodiments described herein are not mutually exclusive of each other and that one or more of the described embodiments may be combined in various ways, as understood by those skilled in the art.

[0077] The method for determining the operation of the unit can be used for training operating personnel or advanced process control based on strict models. In the case of training, the method can be connected to the operating station and specific input parameters can be generated from any input of the personnel to the operating station. Based on the input parameters generated, the operating and / or size parameters can be determined and can be fed back to the operator. In the case of advanced process control based on strict models, the software runs in a rating mode. Based on process-specific input parameters, operating parameters can be determined in real time and compared with measured operating parameters. In a preferred embodiment, the operating parameters can be determined in the rating mode based on input parameters, which are derived from the analysis of the concentration of one or more components in one or more process streams, preferably the content of amines and / or water in the absorption medium or the concentration of one or more acidic gases in the treated gas stream or feed gas stream. The input parameters related to the concentration of one or more components in the process stream can be determined by methods known in the art, such as spectral methods or chromatographic methods. In a particularly preferred embodiment, the operating parameters determined in the rating mode and based on the input parameters related to the concentration of one or more components in the treated outlet stream are the solution flow rate of the absorption medium and the reboiler duty of the regenerator. Since the concentration of one or more components of a process stream may change with increasing operating time, the preferred embodiments described above are able to determine optimized operating parameters, such as reboiler duty or solution flow rate, based on the actual concentration of the components in the gas processing unit.

[0078] According to a third aspect of the present invention, there is provided a computer program product comprising computer readable instructions which, when loaded and executed on a processor, performs the method according to any embodiment of the first aspect or the first aspect itself.

[0079] The computer program for executing the method of the present invention may be stored on a computer-readable medium. The computer-readable medium may be a floppy disk, a hard disk, a CD, a DVD, a USB (Universal Serial Bus) storage device, a RAM (Random Access Memory), a ROM (Read Only Memory) and an EPROM (Erasable Programmable Read Only Memory).

[0080] The computer readable medium may also be a data communication network, such as the Internet, which allows downloading of the program code.

[0081] The computer program for performing any method of the present invention may be stored on a computer-readable storage medium (e.g., a non-transitory computer-readable storage medium). The computer-readable storage medium may be a floppy disk, a hard disk, a CD (compact disk), a DVD (digital versatile disk), a USB (universal serial bus) storage device, a RAM (random access memory), a ROM (read-only memory), an EPROM (erasable programmable read-only memory), or other suitable device. The present invention may be implemented in digital electronic circuitry, or in computer hardware, firmware, software, or a combination thereof, such as in available hardware of conventional mobile devices, or in new hardware dedicated to processing the methods described herein, as will be described in more detail below.

[0082] In another embodiment, the methods described herein may be used for rigorous model-based advanced process control that may be run in an existing gas processing plant to monitor or control the process. Brief introduction of the attached figure

[0083] A more complete appreciation of the present invention and its attendant advantages will be more clearly understood by reference to the following schematic drawings, which are not drawn to scale, in which:

[0084] Figure 1 A schematic flow chart showing a method for determining unit operation of a chemical device for removing acid gas according to an exemplary embodiment of the present invention;

[0085] Figure 2 A schematic diagram of a system for determining unit operation of a chemical device for removing acid gas according to an exemplary embodiment of the present invention is shown;

[0086] Figure 3 A schematic diagram of a system for determining unit operation of a chemical device for removing acid gas according to an exemplary embodiment of the present invention is shown;

[0087] Figure 5 A schematic diagram showing a graphical user interface of a method for determining unit operation of a chemical device for removing acid gas according to an exemplary embodiment of the present invention;

[0088] Figure 6 An image showing a simulated process flow diagram used in chemical and process engineering to indicate a general flow of chemical plant processes and equipment according to an exemplary embodiment of the present invention;

[0089] Figure 7 An exemplary embodiment of determining the CO2 loading factor by the ratio of the actual loading to the equilibrium loading in the liquid phase is shown;

[0090] Figure 8 The liquid phase temperature behavior is shown, which shows the dependence of the absorber height on temperature for different liquid flow rates and a constant gas flow rate;

[0091] Fig. 9 The gas phase CO2 content behavior is shown, which shows the dependence of the absorber height on the CO2 content for different liquid flow rates and constant gas flow rate;

[0092] Fig.10 The behavior of the CO2 loading factor is shown, which shows the dependence of the absorber height on the loading factor for different liquid flow rates and a constant gas flow rate; and

[0093] Fig.11 The convergence behavior is shown, which shows the relationship between the number of iterations and the flow rate.

[0094] Detailed description of the implementation plan

[0095] The illustrations in the figures are schematic and not to scale. In different figures, similar or identical elements are provided with the same reference signs.

[0096] Generally, in the drawings, the same parts, units, entities or steps have the same reference numerals.

[0097] Figure 1 A schematic flow chart of a method 10 for determining unit operation of a chemical device for removing acid gases according to an exemplary embodiment of the present invention is shown.

[0098] The method for determining the unit operation of a chemical plant may include at least the following steps:

[0099] As a first step of the method, a first set of parameters for the operation of the S1 unit is provided. According to another embodiment of the invention, the first set of parameters for the operation of the unit may include parameters required by the user of the chemical plant, such as the amount of gas treated by amine gas treatment, using an aqueous solution of alkylethanolamine to remove hydrogen sulfide and carbon dioxide from the gas. This produces an outlet gas depleted in carbon dioxide and / or hydrogen sulfide.

[0100] According to one embodiment of the invention, the first set of parameters for the operation of the unit comprises at least one relative parameter.

[0101] According to another embodiment of the present invention, the user can further use the first set of parameters to specify the geometric dimensions of the units of the chemical device, such as the height, width or length or volume of any one of the absorber unit and the regenerator unit and other auxiliary equipment.

[0102] Other parameters defined with the first set of parameters may be, for example, a desired gas flow value or a maximum concentration value of the overhead gas produced by the regenerator, such as the concentration of extracted hydrogen sulfide and carbon dioxide.

[0103] As a second step S2 of the method 10 , providing a second set of parameters for the operation of the unit based on the provided first set of parameters and based on data retrieved from the database is performed.

[0104] According to one embodiment of the invention, the second set of parameters for the operation of the unit comprises at least one relative parameter.

[0105] According to another embodiment of the present invention, the data retrieved from the database may include the chemical and physical properties of the gases involved, the geometric properties of the process piping and equipment items of the materials or chemical devices. For example, a second set of parameters may be provided to complete the first set of data, thereby achieving a full set of data covering the parameters required for the simulation.

[0106] According to one embodiment of the invention, the retrieved data comprises at least one relative parameter.

[0107] In one embodiment, wherein one of the one or more gas treatment units is an absorber, which is particularly adapted to treat an inlet gas stream with a treatment solution to provide a treated outlet stream, wherein absorber input parameters are provided which include at least one of the following relative parameters: i. a ratio which specifies the fraction of one or more depleted components in the treated outlet stream relative to the entire outlet stream,

[0108] ii. the loading factor, which specifies the distance from the equilibrium capture capacity of the process solution in the absorber, and iii. the acceptable hydraulic loading, which specifies the flooding conditions in the absorber.

[0109] In one example, the absorber input parameters may include the available relative parameters in i, ii, and iii listed above.

[0110] In another example, the absorber input parameters include two of the parameters listed above, and any remaining absorber input parameters are specified via corresponding dependent parameters.

[0111] In yet another example, the absorber input parameter includes one of the available relative parameters, and the remaining absorber input parameters are specified via corresponding parameters.

[0112] In one example, the absorber input parameters include at least one of absorber height, absorber diameter, or solution flow rate as a relative parameter, including providing:

[0113] - for absorber height, the composition of the treated outlet stream,

[0114] - the load factor of the process solution in the absorber for the flow rate,

[0115] - Acceptable hydraulic loading of the absorber for the absorber diameter.

[0116] Following this reasoning, absorber height, flow rate and absorber diameter, respectively, are corresponding parameters and thus part of the operating and / or sizing parameters, which are to be determined based on the numerical model.

[0117] Based on the above parameters, the concept of providing relative parameters becomes more apparent. For example, the composition in the treated outlet stream is relative, and in this particular case, it can be dimensionless in the sense that it can be determined by the ratio of the amount of any component of the absorption present in the treated outlet stream to the sum of the amounts of all components in the treated outlet stream.

[0118] According to another embodiment of the invention, the ratio is related to the absorber height, since the amount of any component absorbed changes as the path through the absorber increases. Similarly, the load factor is relative, and in this particular case, it can be dimensionless in the sense that it can be determined by the ratio of the actual load to the equilibrium load.

[0119] According to another embodiment of the invention, the ratio is related to the treatment solution flow rate, since the actual load decreases with increasing treatment solution flow rate or flow rate. The hydraulic load is relative, and in this particular case, it can be dimensionless in the sense that it can be determined by the ratio of the actual hydraulic load to the hydraulic load at the flooding limit.

[0120] According to another embodiment of the invention, the ratio is related to the absorber diameter, since the actual hydraulic load decreases with increasing absorber diameter. Thus, in the sense of the present invention, the relative parameter may, for example, relate to a function-driven parameter, which is preferably based on a ratio or similar relationship of corresponding parameters. The relative parameter is independent of or not directly associated with the plant throughput, plant size, physical dimensions of the plant and / or capacity of the gas treatment plant.

[0121] In providing relative parameters of the absorber, it is not necessary to specify absorber height, absorber diameter, or flow rate. Instead of the composition in the treated outlet stream, an acceptable hydraulic loading or loading factor of the treatment solution in the absorber is provided. The composition in the treated outlet stream can be determined by the ratio of the amount of any component of the absorption present in the treated outlet stream to the total amount of all components in the treated outlet stream.

[0122] The composition specifying the proportion of one or more depleted gas components in the treated outlet stream may be based on the individual proportions of each depleted gas component. The composition may also be based on the sum or partial sum of the proportions of the depleted gas components.

[0123] According to another embodiment of the present invention, the second set of parameters can define, for example, the ion composition of the multi-component gas stream. The ion composition can be calculated and determined based on the temperature distribution, wherein the temperature distribution can also be provided by a database based on the required temperature in a single operating unit of a chemical device or in a single equipment project.

[0124] As a third step S3 of the method 10 , a digital model of the chemical plant is determined based on the first set of parameters and the second set of parameters, wherein the digital model includes a set of equations defining unit operations of the chemical plant.

[0125] As a fourth step S4 of the method 10, a selection of a starting point for an equation-based solution method of the system of equations is performed, wherein the starting point is at least partially selected from:

[0126] -i) The first set of parameters;

[0127] -ii) a second set of parameters; and

[0128] -iii) Data retrieved from the database.

[0129] According to another embodiment of the present invention, the equation-based solution can be performed, for example, by an equation-oriented method, in which the process flow of the chemical plant is treated as a system of equations to be solved simultaneously.

[0130] According to another embodiment of the present invention, selecting a starting distribution for an equation-based solution may include determining a starting point based on input parameters that are closest to metadata associated with the starting point, which is provided by a database server. According to another embodiment of the present invention, the starting distribution may include previously used and / or calculated starting points, and calculated or used parameters of a previously determined solution, and outputting data and metadata.

[0131] In other words, the starting distribution can be used to complete and provide complementary data for the first set of parameters, so the user does not have to provide certain parameters in detail, and these parameters are filled in based on the starting points stored in the starting distribution of the database, and the data is rounded by the starting distribution of the database.

[0132] As a fifth step S5 of the method 10 , determination of the resulting settings for the unit operation of the chemical plant using an equation-based solution method for the system of equations initialized by the selected starting point is performed.

[0133] In another embodiment of the method for determining the unit operation of an acid gas removal chemical plant according to an exemplary embodiment of the present invention, the data retrieved from the database includes thermodynamic parameters, wherein the thermodynamic parameters are derived from measurements of thermodynamic properties of the gas processing plant under operating or laboratory conditions. The thermodynamic parameters preferably indicate thermodynamic properties of the gas processing plant under operating conditions.

[0134] Another embodiment of providing thermodynamic parameters indicative of thermodynamic properties in a gas processing unit under operating conditions may include data retrieved from a database. The retrieved data complements the input parameters, thereby reducing the number of parameters that a user must provide.

[0135] Preferably, the thermodynamic parameters are based on historical measurement data or laboratory scale experiments of operating gas processing devices to provide a more accurate basis for determining operating and / or dimensional parameters. Thermodynamic parameters may include thermodynamic solvent-gas parameters that specify equilibrium conditions, kinetic parameters such as reaction rates or mass transfer parameters related to density, viscosity, surface tension, diffusion coefficients or mass transfer correlations. In particular, the inclusion of kinetic parameters increases the accuracy of the determined resulting settings, since not only equilibrium conditions are taken into account.

[0136] In a preferred embodiment, where relative parameters are used, the relative parameters may be constrained within a predefined range.Herein, one or more of the above absorber input parameters or regenerator input parameters designated as relevant parameters may be within a predefined range.

[0137] In another embodiment, before and / or after determining the digital model of the S3 chemical plant, a consistency check is performed on the at least one relative parameter, wherein if the at least one relative parameter is within a predefined range, it is consistent. This consistency check can be implemented via a permission object before receiving the request and / or as a separate check after receiving the request. In particular, if the relative parameters are determined to be consistent, initialization of the digital model can be performed. If the relative parameters are determined to be inconsistent, a warning is provided via an output interface.

[0138] In another embodiment, the physical performance of the gas processing plant is described by process specific input parameters, which include gas processing unit input parameters and thermodynamic parameters and operation and / or size parameters associated with the numerical model. Here, the numerical model may include a set of equations that define the unit operation in the form of one or more gas processing units or process units of the gas processing plant.

[0139] The digital model may include any gas processing unit or process unit specified via configuration parameters. For example, the digital model may include an absorber and / or regenerator model, which characterizes mass transfer and heat transfer in the absorber and / or regenerator, respectively. Therefore, the digital model is a tool to reliably and accurately describe the gas processing plant, and this description is used to make reliable and accurate predictions of the dimensions and / or operating parameters to be implemented in the physical gas processing plant to be built.

[0140] The numerical model can be based on the MESH equations - material balance, equilibrium relations, summation equations, heat balance, or can be based on the MERSHQ equations - material balance, energy balance, mass and heat transfer rate equations, summation equations, hydraulic equations for pressure drop, equilibrium equations, and optional cost equations, which may include operating and / or capital expenditures, for example, as known in the art (e.g. Ralf Goedecke; Fluidverfahrenstechnik, Grundlage, Methodik, Technik, Praxi; 2011; WILEY-VCH Verlag GmbH & Co., Weinheim, Germany; ISBN: 978-527-33270-0).

[0141] In another embodiment, determination of unit operation may include determining dimensions and / or operating parameters of the unit.

[0142] In another embodiment, the determination of the unit operation can include an equation-based solution method or a sequential modular solution method using a numerical model. In the sequential modular solution method, the unit operations are solved sequentially, starting with the inlet flow and sequentially solving for downstream unit operations, such as an absorber unit operation or a regenerator unit operation.

[0143] This directional construction from inlet to outlet makes downstream specification (e.g., composition of outlet stream) difficult. This can be overcome by introducing a control loop that controls downstream specification, such as composition of outlet stream. This control loop determines the difference of control parameters, such as composition of outlet stream, step by step, which increases complexity and slows down the processor.

[0144] In an equation-based solution method, unit runs are treated as a system of equations. Preferably, the equation-based solution method includes all equations of the digital model in a single system of equations, which are solved simultaneously. The system of equations can be numerically solved by satisfying all equations simultaneously with a defined accuracy. Finding a solution to the system of equations can include more than one iteration.

[0145] The use of equation-based solution methods enables simple specification of relative parameters, which is simpler than sequential modular solution methods. Furthermore, in equation-based solution methods, it is important to specify meaningful starting or initial input parameters so that the method finds a solution. The specification of relative parameters of gas processing unit input parameters provides an improved and enhanced way to provide meaningful starting or initial input parameters.

[0146] Providing at least one of the above relative parameters in the gas processing unit input parameters can affect the numerical model in that the numerical model can include a relationship of the relative parameter to the corresponding parameter. For the absorber input parameters, this can include one or more relationships of a desired fraction level of at least one of the compositions in the treated outlet stream to the absorber height, or one or more relationships of, for example, a load factor of the process solution in the absorber to the flow rate, or, respectively, an acceptable hydraulic load to the absorber diameter.

[0147] Similarly, relationships of regenerator input parameters may be included. Determining the size and / or operating parameters may include determining convergence criteria for a gas processing unit of the gas processing plant using an equation-based solution method of the numerical model, wherein the convergence criteria involve physical system balances. Examples of such balances are those provided by MESH equations - material balance, equilibrium relationships, summation equations, heat balances, or those provided by MERSHQ equations - material balance, energy balance, mass and heat transfer rate equations, summation equations, hydraulic equations for pressure drop, equilibrium equations, and optional cost equations for, for example, operating and / or capital expenditures.

[0148] Here, convergence may refer to iteratively determining dimensions and / or operating parameters until a convergence criterion is reached in the sense that a threshold value for the equilibrium of the physical system is reached.

[0149] Furthermore, providing at least one of the above-mentioned relative parameters may influence the output, in that the output of the operating and / or dimensional parameter comprises a corresponding parameter of the gas processing unit in relation to the relative parameter provided as an input parameter of the gas processing unit. Depending on the relative parameter, the operating and / or dimensional parameter comprises, for example, a height of the absorber as a dimensional parameter, a diameter of the absorber as a dimensional parameter or a solution flow rate in the absorber under operating conditions as an operating parameter.

[0150] Furthermore, depending on the relative parameters, the output of the operating and / or sizing parameters includes at least one of a reboiler duty as an operating parameter or a regenerator diameter as a sizing parameter.

[0151] According to another embodiment of the invention, the client device may be part of a computer environment of a client-side arrangement, and the database server and the determination server may be part of a server-side computer environment.

[0152] The client device may be implemented as a network service or as a separate software package, such as an application software. In another embodiment, the database server and the determination server may be part of the client side of a distributed client-server computer system.

[0153] On the client device side, process specific input parameters, in particular gas processing unit input parameters may be provided by specifying a desired purity grade or composition of the treated outlet stream, e.g. one or more fractions of compounds of the treated outlet stream may be defined by certain values ​​of a given fraction.

[0154] In sales gas applications, the purity grade of, for example, less than or equal to 2-4 mol % gas may be much lower than in other liquefied natural gas (LNG) applications having high purity grade requirements of less than or equal to 50 mol ppm gas.

[0155] The minimum set of process specific input parameters may be inlet gas conditions such as temperature, composition or pressure, pressure conditions in the gas treatment unit, condensation temperature at the top of the regenerator and lean solution temperature. In order to meet these different technical needs, the gas treatment plant type may be used to limit the process specific input parameters at the input module level in such a way that the determination of the size and / or operating parameters or the determination of the operating parameters of the operation of an existing gas treatment plant is performed in a controlled and more efficient manner.

[0156] Defining which gas processing unit input parameters are provided as relative parameters or corresponding parameters may include, for each gas processing input parameter, a permission object that allows a single gas processing input parameter to be provided to be designated as a relative parameter or a corresponding parameter. This may be achieved by providing an option on a user interface of the input module. Alternatively, the permission object may allow a single gas processing input parameter to be provided to be specifically designated as a relative parameter or a corresponding parameter.

[0157] Similarly, defining which process-specific input parameters are provided based on the device type may include, for each gas processing input parameter, allowing only certain process-specific input parameters to be provided, wherein other parameters are fixed. Alternatively or additionally, defining which process-specific input parameters are provided based on the device type may include, for each gas processing input parameter, allowing only process-specific input parameters within a specified range to be provided.

[0158] Figure 2 A schematic diagram of a system 100 for determining unit operation of a chemical device for removing acid gases according to an exemplary embodiment of the present invention is shown.

[0159] The system 100 for determining unit operation of a chemical device for removing acid gas may include a client device 110 , a database server 120 , and a determination server 130 .

[0160] The client device 110 is configured to provide a first set of parameters for operation of the unit.

[0161] The database server 120 includes databases 120-1, 120-2, 120-3 (eg, Figure 3 shown).

[0162] The determination server 130 is configured to provide a second set of parameters for the unit operation based on the provided first set of parameters and based on data from the database. The determination server 130 is further configured to determine a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model includes a matrix or a set of equations defining the unit operation of the chemical device. The determination server 130 is further configured to select a starting point for an equation-based solution method for the set of equations, wherein the starting point is selected by using the first set of parameters, the second set of parameters, and the data retrieved from the database.

[0163] The determination server 130 is further configured to determine resulting settings for the unit operations of the chemical plant using an equation-based solution method of the system of equations initialized by the selected starting point.

[0164] Figure 3 Another schematic diagram of a system 100 for determining unit operation of a chemical device for removing acid gases according to an exemplary embodiment of the present invention is shown.

[0165] The client device 110 may be configured to provide input parameters to the determination server 130 , for example in terms of solvent name and concentration.

[0166] The determination server 130 may further include a subunit of an input data provider 130-1 configured to initialize and convert the provided input parameters and provide the converted input parameters to a simulation engine 130-2 configured to initialize a digital model 130-3 of a chemical device for running a simulation.

[0167] The output of the initialized and run chemical plant digital model can be given by data files 130-4, 130-5. The output can be divided into output data of the client and output data of the database.

[0168] The database server 120 may include, for example, a first database 120 - 1 of physical properties, a second database 120 - 2 of starting points, and a third database 120 - 3 of starting distributions.

[0169] The second database 120-2 of starting points stores data including starting points and associated hashtags, which allows the results of previously executed simulations to be identified and found as starting points for the intended operation of the digital model. The hashtags may be generated by a user or by the determination server 130 or the database server 120, which generates the hashtags based on a lookup table.

[0170] The third database 120-3 of starting distributions stores starting distributions, including starting points and metadata. The metadata can be descriptive or structural (describing a chemical device) or statistical (e.g., statistical metadata of previously performed simulations). A meta-search is performed by the database server 120 in the third database 120-3 to identify and find the results of previously performed simulations as starting points for the intended run of the digital model.

[0171] The starting point may be stored in the second database 120 - 2 and the third database 120 - 3 , or only in the second database 120 - 2 .

[0172] The database server 120 may transmit the physical properties and / or the starting distribution according to the initially provided input parameters. The transmitted physical properties and / or the starting distribution may be used by the simulation engine 130-2 to initialize the digital model of the chemical device.

[0173] Figure 4 A schematic diagram of a system for determining unit operation of a chemical device for removing acid gas according to an exemplary embodiment of the present invention is shown.

[0174] In step S101 , the input parameters are provided to the determination server 130 .

[0175] In step S102 , the determination server 130 initializes and converts the provided input parameters, and provides the converted input parameters to the simulation engine 130 - 2 .

[0176] In step S103 , sending the starting point and / or the starting distribution from the database may be performed.

[0177] In step S104 , branches to different instruction sequences may be executed based on the simulation results ( S105 , S106 ).

[0178] In step S107 , initializing the digital model of the chemical device by the simulation engine 130 - 2 may be performed.

[0179] Figure 5 A schematic diagram of a graphical user interface showing a method of determining unit operation of a chemical plant for acid gas removal according to an exemplary embodiment of the present invention.

[0180] The user can use the graphical user interface to specify desired operating values ​​within a typical range for an acid gas removal chemical plant. For example, an absorber unit can be specified by limiting operating parameters such as lean amine temperature to a predetermined range of 35-50°C or by limiting feed gas pressure to a predetermined range of 5-100 atm. This data can be provided by the first set of parameters, for example.

[0181] The regenerator unit may for example be specified by defining operating parameters, such as a temperature range of 110-150°C, or by defining a pressure range of 1.5-7 atm. This data may for example be provided by the first set of parameters.

[0182] The user may select an absorption medium and select or specify a desired absorption medium concentration.

[0183] Figure 6 An image showing a simulated process flow chart used in chemical and process engineering to indicate a general flow of chemical plant processes and equipment according to an exemplary embodiment of the present invention.

[0184] For example, a simulated process flow diagram may be calculated and determined by a determination server, and the simulated process flow diagram may be visualized to a user. The simulated process flow diagram may visualize process piping of a chemical plant, units running certain chemical processes, additional equipment items, connections of gas or liquid flows, or any valves regulating, directing or controlling any flow of a fluid.

[0185] Figure 6 Further shown is an exemplary chemical plant configuration including an absorber unit and a regenerator unit.

[0186] The flowsheet is defined by a single unit operation or a combination of gas processing units, such as mixers, heaters / coolers, flash sections, equilibrium stage columns, and rate-based columns. The single unit operations are connected by streams or interconnections. There may be recycle streams or interconnections, which causes changes in one unit operation to have an impact on some or all unit operations in the flowsheet.

[0187] Figure 6 The acid gas removal device comprises an absorber and a desorber as a regenerator of the process solution. The process solution may comprise an aqueous amine solution as an absorption medium. The absorption medium comprises at least one amine. The following amines are preferred:

[0188] (i) Amines of formula I:

[0189] NR 1 (R 2 )2(I)

[0190] Where R 1is selected from C2-C6 hydroxyalkyl, C1-C6 alkoxy-C2-C6 alkyl, hydroxy-C1-C6 alkoxy-C2-C6 alkyl and 1-piperazinyl-C2-C6 alkyl, R 2 Independently selected from H, C1-C6 alkyl and C2-C6 hydroxyalkyl;

[0191] (ii) an amine of formula II:

[0192] R 3 R 4 NX-NR 5 R 6 (II)

[0193] Where R 3 , R 4 , R 5 and R 6 independently selected from H, C1-C6 alkyl, C2-C6 hydroxyalkyl, C1-C6 alkoxy-C2-C6 alkyl and C2-C6 aminoalkyl, X represents C2-C6 alkylene, -X 1 -NR 7 -X 2 -or-X 1 -OX 2 -, where X 1 and X 2 independently represent C2-C6 alkylene, R 7 represents H, C1-C6 alkyl, C2-C6 hydroxyalkyl or C2-C6 aminoalkyl;

[0194] (iii) a 5- to 7-membered saturated heterocyclic ring having at least one nitrogen atom in the ring and which may contain one or two other heteroatoms selected from nitrogen and oxygen in the ring, and

[0195] (iv) mixtures thereof.

[0196] Specific examples are:

[0197] (i) 2-aminoethanol (monoethanolamine), 2-(methylamino)ethanol, 2-(ethylamino)ethanol, 2-(n-butylamino)ethanol, 2-amino-2-methylpropanol, N-(2-aminoethyl)piperazine, methyldiethanolamine, ethyldiethanolamine, dimethylaminopropanol, tert-butylaminoethoxyethanol, 2-amino-2-methylpropanol;

[0198] (ii) 3-methylaminopropylamine, ethylenediamine, diethylenetriamine, triethylenetetramine, 2,2-dimethyl-1,3-diaminopropane, hexamethylenediamine, 1,4-diaminobutane, 3,3-iminobispropylamine, tris(2-aminoethyl)amine, bis(3-dimethylaminopropyl)amine, tetramethylhexamethylenediamine;

[0199] (iii) piperazine, 2-methylpiperazine, N-methylpiperazine, 1-hydroxyethylpiperazine, 1,4-bishydroxyethylpiperazine, 4-hydroxyethylpiperidine, homopiperazine, piperidine, 2-hydroxyethylpiperidine and morpholine; and

[0200] (iv) mixtures thereof.

[0201] In a preferred embodiment, the absorption medium comprises at least one of the amines monoethanolamine (MEA), methylaminopropylamine (MAPA), piperazine, diethanolamine (DEA), triethanolamine (TEA), diethylethanolamine (DEEA), diisopropylamine (DIPA), aminoethoxyethanol (AEE), dimethylaminopropanol (DIPAP) and methyldiethanolamine (MDEA), or mixtures thereof.

[0202] The amine is preferably a sterically hindered amine or a tertiary amine. A sterically hindered amine is a secondary amine in which the amine nitrogen is bonded to at least one secondary carbon atom and / or at least one tertiary carbon atom; or a primary amine in which the amine nitrogen is bonded to a tertiary carbon atom. A preferred sterically hindered amine is tert-butylaminoethoxyethanol. A preferred tertiary amine is methyldiethanolamine.

[0203] When the amine is a sterically hindered amine or a tertiary amine, the absorption medium preferably further comprises an activator. The activator is usually a non-sterically hindered primary or secondary amine. In these non-sterically hindered amines, the amine nitrogen of at least one amino group is bonded only to primary carbon atoms and hydrogen atoms.

[0204] The non-sterically hindered primary or secondary amines are, for example, selected from:

[0205] Alkanolamines, for example monoethanolamine (MEA), diethanolamine (DEA), ethylaminoethanol, 1-amino-2-methylpropan-2-ol, 2-amino-1-butanol, 2-(2-aminoethoxy)ethanol and 2-(2-aminoethoxy)ethylamine,

[0206] Polyamines, for example hexamethylenediamine, 1,4-diaminobutane, 1,3-diaminopropane, 3-(methylamino)propylamine (MAPA), N-(2-hydroxyethyl)ethylenediamine, 3-(dimethylamino)propylamine (DMAPA), 3-(diethylamino)propylamine, N,N'-bis(2-hydroxyethyl)ethylenediamine,

[0207] A 5-, 6- or 7-membered saturated heterocyclic ring having at least one NH group in the ring and which may contain one or two further heteroatoms selected from nitrogen and oxygen in the ring, for example piperazine, 2-methylpiperazine, N-ethylpiperazine, N-(2-hydroxyethyl)piperazine, N-(2-aminoethyl)piperazine, homopiperazine, piperidine and morpholine.

[0208] Particular preference is given to saturated 5-, 6- or 7-membered heterocycles which have at least one NH group in the ring and which may contain one or two further heteroatoms selected from nitrogen and oxygen in the ring. Very particular preference is given to piperazine.

[0209] In one embodiment, the absorption medium comprises methyldiethanolamine and piperazine.

[0210] The molar ratio of the activator to the sterically hindered amine or tertiary amine is preferably 0.05-1.0, particularly preferably 0.05-0.7.

[0211] The absorption medium generally comprises from 10 to 60% by weight of amine.

[0212] The absorption medium is preferably aqueous.

[0213] The absorption medium may further comprise a physical solvent. Suitable physical solvents are, for example, N-methylpyrrolidone, tetramethylene sulfone, methanol, oligoethylene glycol dialkyl ethers such as oligoethylene glycol methyl isopropyl ether (SEPASOLV MPE), oligoethylene glycol dimethyl ether (SELEXOL). The physical solvent is usually present in the absorption medium in an amount of 1-60% by weight, preferably 10-50% by weight, and in particular 20-40% by weight.

[0214] In a preferred embodiment, the absorption medium comprises less than 10% by weight, for example less than 5% by weight, in particular less than 2% by weight, of inorganic basic salts, for example potassium carbonate.

[0215] The absorption medium may also contain additives, such as corrosion inhibitors, antioxidants, enzymes, etc. Typically, the amount of such additives is about 0.01-3% by weight of the absorption medium.

[0216] The load factor of gas component i can be defined as follows:

[0217] The loading factor for any gas component i can be related to the ratio of the actual gas loading of component i to the equilibrium gas loading of any gas component i, where the actual gas loading of component i is a function of the actual gas component flow rate of component i in liquid solution and the actual total flow rate of the liquid solution, and the equilibrium gas loading is a function of the absorption medium composition, temperature, pressure, and gas phase composition.

[0218] The acceptable hydraulic load represents an acceptable hydraulic operating scenario in the absorber. It can be determined by the distance of the actual hydraulic load from the flooding condition. Here, the flooding condition refers to the operating condition where a further increase in the gas or liquid flow in the absorber will result in liquid flooding inside the absorber or complete entrainment of the liquid by the gas flow. The hydraulic load can be specified by the ratio of the actual hydraulic load in the absorber to the hydraulic load at the flooding limit. The acceptable hydraulic load can be related to or indicate the flooding condition in the absorber, for example, a flooding curve or a tower mass transfer height ratio pressure drop in the absorber.

[0219] Acceptable hydraulic loads can be defined as follows:

[0220] The hydraulic load can be related to the ratio of the actual hydraulic load, which is a function of the F-factor and the liquid velocity wL, to the hydraulic load at the flooding limit, which is a function of the F-factor, the liquid velocity wL, the gas density of the gas stream in the absorber, the liquid density of the process solution, the gas viscosity density of the gas stream in the absorber, the liquid viscosity of the process solution, the liquid surface tension of the process solution, and the geometry of the mass transfer or absorber internals. In this case, the hydraulic load can be determined for a constant liquid to gas ratio, a constant F-factor, or a constant liquid density wL. Here, the F-factor can be defined as:

[0221] F factor = gas velocity * (gas density) 0.5 .

[0222] Additionally or alternatively, the hydraulic load in the absorber may be based on an F-factor or a liquid velocity as a relative parameter. In this case, the operating and / or dimensional parameters, in particular the absorber diameter, are determined based on a given F-factor or a liquid velocity. Once such a determination has been performed, a further check may be performed by determining whether the resulting absorber diameter allows an acceptable hydraulic operating solution in the absorber, thereby avoiding a flooding condition. If the determined absorber diameter does not allow an acceptable hydraulic operating solution in the absorber such that a flooding condition is met, the determination of the operating and / or dimensional parameters will be resumed, or a warning will be provided via an output interface. The warning may further be provided to an input module, where it may be displayed to a user.

[0223] The expressions for hydraulic loading can also be generalized to % capacity, safety factor, or load point.

[0224] In particular, when providing the composition in the treated outlet flow, the acceptable hydraulic load or load factor of the treatment solution makes the specification of the absorber height, absorber diameter or flow rate redundant. Therefore, the absorber height, absorber diameter or flow rate are release parameters in the digital model, and are therefore the results of the method in the form of size and / or operating parameters. This enables the input parameters to be specified in a single step, so that the results are produced without further manual interaction by the designer. The result is a more robust convergence with fewer iterations in the design process and the use of computing power, and therefore with higher efficiency. Finally, the use of the method is less prone to error, simpler, and leads to a more effective method in determining the chemically and physically meaningful size and / or operating conditions of the gas processing device.

[0225] In another embodiment, the absorber input parameters include a load factor for the treatment solution, which is determined by the ratio of the actual load (preferably the actual gas load) to the equilibrium load (preferably the equilibrium gas load) at the bottom of the absorber. Alternatively, the absorber input parameters include a load factor for the treatment solution, which is determined by an extreme value, such as a maximum or minimum value, of the ratio of the actual load (preferably the actual gas load) to the equilibrium load (preferably the equilibrium gas load) along the height of the absorber. In this embodiment, the extreme value can be determined via a distribution of the load factor along the height of the absorber, wherein the extreme value represents a point of the distribution at which the first-order derivative is zero and the second-order derivative is greater than or less than zero. The distribution can be defined so that the extreme value is the maximum value.

[0226] In another embodiment, the load factor determined by the ratio of the actual load of the treatment solution to the equilibrium load is less than 1, preferably ≤0.95, particularly preferably ≤0.9. Here, these values ​​can be viewed in terms of the modulus. In this embodiment, the entire absorber height or a fraction of the absorber height can be considered. For example, the fraction of the absorber height from the bottom of the absorber to the fraction of the top of the absorber height can be considered, such as a fraction of 0.9 or 0.8 to the top or a fraction of 0.7-0.9. Using the load factor in this way avoids unreasonable or physically meaningless designations for determining dimensions and / or operating parameters, because there is usually no or very little mass transfer at the top of the absorber, and therefore, only the thermodynamically important part of the absorber is considered.

[0227] In another embodiment, the load factor of the treatment solution is determined based on at least one gas component absorbed from the inlet stream. In another embodiment, when more than one gas component to be absorbed is present in the inlet stream, the load factor is determined as a combined load factor including the more than one gas component to be adsorbed from the inlet stream. The combined load factor takes into account the interdependencies between the gas components to be absorbed. The combined load factor reflects the thermodynamic and kinetic properties of the treatment solution related to the gas components to be absorbed. Thus, reasonable or physically meaningful results in the determination of size and / or operating parameters can be ensured.

[0228] The combined load factor may be related to the ratio of the actual load to the equilibrium load, the actual load being dependent on the actual gas component flow rates of at least two or more gas components in the process solution and the actual total flow rate of the process solution or the actual total flow rate of the adsorption medium, and the equilibrium load being dependent on the absorption medium composition, the process solution temperature, pressure and the composition of the gas phase or inlet gas stream, wherein the VLE is determined based on the gas phase and the liquid phase at the same absorber height. Here, the absorption medium is the liquid phase without any absorption components from the gas phase, and the solution is the liquid phase including any absorption components.

[0229] In another embodiment, the absorber input parameters include configuration parameters that specify the absorber configuration. The configuration parameters may further specify the column type, such as a packed bed or plate column, the number of sections in the column, pressure conditions such as a pressure drop in the column, temperature conditions, or a distributor type for the liquid treatment solution.

[0230] In another embodiment, process specific input parameters are provided, which are included in the request and are used to initialize the digital model. The process specific input parameters may include absorber input parameters, regenerator input parameters, and the composition of the inlet gas stream at the absorber inlet and the absorption medium parameters specifying the properties of the treatment solution. If there are other gas treatment units or treatment units in addition to the absorber, the process specific input parameters preferably include other parameters specifying each gas treatment unit. Alternatively, some parameters of the other gas treatment units may be pre-set to simplify and reduce the number of process specific input parameters.

[0231] The gas processing device may include one or more gas processing units, such as one or more absorbers, one or more regenerators and / or other gas processing units. In addition, process units such as heat exchangers, pumps, gas compressors or gas condensers may be included in the gas processing device and reflected in the digital model via the operation of the corresponding units.

[0232] The gas treatment plant may comprise one or more of these gas treatment units or process units.Preferably, the process specific input parameters comprise configuration parameters specifying the gas treatment and / or process units comprised in the gas treatment plant and their interconnection representing the material flows.

[0233] In addition, the configuration parameters can be fully or partially predefined, thereby providing a fixed set of fixed possible configurations. The predefined configurations can be stored in a database and can be identified in the process specific input parameters via one or more identifiers representing the corresponding configuration parameters. The predefined configuration parameters guide the user by reducing the problem space and lead to a more robust and stable determination of the operation and / or dimensional parameters. In embodiments where the configuration is not fully predefined, the method can include a consistency check to ensure that a reasonable configuration is defined by the user.

[0234] In another embodiment, the gas treatment unit comprises a regenerator, preferably having at least one reboiler for regenerating the process solution and feeding the regenerated process solution back to the absorber, wherein regenerator input parameters are provided, comprising at least one of the following relative parameters:

[0235] i. The fraction quality of the regeneration process solution or lean solution, the stripping steam ratio, or the load factor, which indicates

[0236] the distance from the equilibrium capture capacity of the regenerated process solution or lean solution at the top of the absorber; and ii. an acceptable hydraulic load, which indicates an acceptable hydraulic operating regime in the regenerator.

[0237] The regenerator input parameters may include at least one of reboiler duty or regenerator diameter as a relative parameter by providing:

[0238] i. For reboiler duty, the fraction quality of the regeneration process solution or the stripping vapor ratio or the load factor of one component at the absorber top, and

[0239] ii. Acceptable hydraulic loading of the regenerator for the regenerator diameter.

[0240] In one example, the regenerator input parameters include all available relative parameters. In another example, the regenerator input parameters include one of the available relative parameters, and the remaining regenerator input parameters are specified via corresponding parameters.

[0241] Here, reboiler duty refers to the heat duty requirement of the regenerator, which has a significant impact on the energy consumption of the gas processing unit. The regenerator input parameters may not include at least one of the reboiler duty or the regenerator diameter. Alternatively, the fraction quality of the regenerated process solution or the lean solution, the stripping steam ratio, or the load factor or acceptable hydraulic load of the regenerated process solution or the lean solution at the top of the absorber may be provided.

[0242] Here, the fraction quality of the regenerated treatment solution or the lean solution refers to the concentration of one or more gas components remaining in the lean solution after regeneration. The fraction quality can be regarded as a composition that specifies the proportion of one or more remaining gas components in the lean solution. In one embodiment, the composition can be obtained by analyzing sensor data, such as data measured by spectroscopic methods or chromatographic methods. The data can be received by an input unit or an interface unit of a determination server.

[0243] The stripping steam ratio may be based on the water flow rate in regeneration and the acid gas flow rate in regeneration. The stripping steam ratio may be defined by the ratio of the water flow rate in regeneration to the acid gas flow rate in regeneration. This may be determined for a constant height, such as at the top or between the bottom and the top.

[0244] The acceptable hydraulic load represents an acceptable hydraulic operating scenario in the regenerator. It can be determined by the distance of the actual hydraulic load from the flooding condition. Here, the flooding condition refers to the operating condition where further increase of gas or liquid flow in the regenerator will result in flooding of the regenerator internals, or the liquid is completely entrained by the gas flow.

[0245] The hydraulic load may be specified via the ratio of the actual hydraulic load in the operating regenerator to the hydraulic load at the flooding limit. The acceptable hydraulic load may be related to or indicative of flooding conditions in the regenerator, such as a flooding curve or a tower mass transfer height specific pressure drop.

[0246] Figure 7 An exemplary embodiment of determining the CO2 loading factor by the ratio of the actual loading to the equilibrium loading in the liquid phase is shown.

[0247] One element that allows for relative parameters is to provide the load factor at the bottom of the absorber or the maximum load factor along the height of the absorber. An exemplary column profile for determining the load factor is shown in Figure 6 middle.

[0248] The first graph of absorber height versus temperature illustrates the temperature distribution of the gas and liquid phases.Providing a load factor distribution is particularly important for absorption processes with significant temperature bumps, as shown in the first graph.

[0249] This temperature bump occurs when the exothermic heat of reaction and / or the heat of absorption is released.The second graph of absorber height versus CO2 concentration illustrates the CO2 concentration profile in the gas phase.

[0250] The temperature and CO 2 concentration in the gas phase determine the equilibrium loading profile of CO 2 in the liquid phase, as shown by the dashed line in the third graph of absorber height versus CO 2 loading.

[0251] For each iteration of the equation-based solution method, the actual loading distribution of CO2 in the liquid phase is determined as shown by the solid line. The loading factor distribution as shown in the fourth diagram is defined by the actual loading of CO2 in the liquid phase divided by the equilibrium loading.

[0252] A value of 1 for the load factor means that the equilibrium value is reached and no mass transfer occurs. This would lead to an infinite absorber height as a calculation result for specifying the CO2 concentration in the treated outlet gas. Therefore, for the design of a gas treatment plant, it is necessary to specify a load factor of <1 to avoid physically impossible specifications. Reasonable load factors are, for example, <0.95 or <0.9.

[0253] If both CO2 and H2S are present in the inlet gas, a single load factor for either CO2 or H2S may be misleading and may not be useful for the specification. For such cases, the combined load factor for CO2+H2S is used for the specification.

[0254] exist Figure 6 In the example of the load factor distribution along the absorber, it can be observed that the maximum value of the load factor is reached at the absorber top. This is due to the specified CO2 content in the treated gas at 90% absorber height and the available lean load at the absorber top. This maximum load factor at the absorber top is acceptable and does not lead to physically unreasonable conditions.

[0255] However, the maximum load factor near the location of highest temperature is critical and must be limited to a value < 1 as described above. To ensure that the maximum load factor is specified at the correct location, the load factor is evaluated from the absorber base to a defined portion of the absorber height.

[0256] Figure 8-10 The temperature behavior of the liquid phase, the behavior of the CO2 content in the gas phase and the load factor determined for different liquid flow rates (in %) are shown. These figures simulate the behavior in the absorber of a gas treatment plant if the liquid flow rate, as a parameter depending on the plant throughput, is varied. It is worth noting that Figure 8 and 9 The distribution in shows a large effect on the distribution shape for flow rates between 110% and 98%. Fig. 9 The concentration distribution and Fig.10The load factor distribution in shows that CO2 breakthrough occurs at about 98% of the absorber top. Below and above 100% flow rate, the distribution shape does not change significantly. Therefore, the distribution shape is most sensitive near 100% flow rate.

[0257] This behavior of the physical quantities in the absorber—temperature and CO2 content in the gas—is reflected in the Fig.11 In the region of 96-98% flow rate, the convergence behavior is such that the determination of the operation and / or size parameters takes up to 6 times more iterations than above or below this region.

[0258] For operation of the absorber in the gas treatment plant, this represents an unstable mode of operation, as the absorber will be operating near the CO2 gas breakthrough point. Therefore, in setting the flow rate to an appropriate value representing stable absorber operation, it is critical to design the gas treatment plant accordingly to be stable. In order to ensure that this stable solution is provided when determining the operating and / or sizing parameters, it is very advantageous to allow the load factor to be taken as an input.

[0259] Depending on whether the load factor is determined at the absorber bottom or taken as a maximum along the absorber height, two scenarios can be distinguished that may converge quickly. At the same time, the method ensures that the determination results in operating and / or dimensioning parameters that allow stable operation of the absorber and the gas treatment device.

[0260] The following example shows a significant efficiency improvement and simplification of the design procedure for a user-designed gas processing unit. Two different feed gas conditions, referred to as Case A and Case B, are given, which differ only in the concentrations of carbon dioxide and methane. All other conditions such as temperature, pressure flow rate and concentrations of residual components are the same. An overview of all feed gas conditions is given in the following table:

[0261]

[0262]

[0263] The task is to design a grass-roots CO2 removal unit for an LNG production unit, where the CO2 concentration in the treated gas is 50 mol ppm. The unit configuration should consist of an absorber, HP flash and stripper. The user needs to define several process parameters such as solution flow rate, absorber packing height, absorber diameter, reboiler duty and stripper diameter.

[0264] Using a process simulator of the prior art, it is necessary to define the plant geometry, the conditions of the inlet streams and the process conditions before running the simulation. The conditions of all the outlet streams, such as the CO2 concentration in the process gas, are the results of the process simulator calculations.

[0265] In order to obtain a specified acid gas concentration in the process gas, the user needs to perform many manual iterations to change the above process conditions until the desired CO2 concentration in the process gas is achieved. The reason is that even experienced users do not know in advance the exact results of the operating and sizing parameters.

[0266] Furthermore, the user may define conditions even during the manual iterations, which may not result in the desired CO2 concentration in the process gas. For example, the desired CO2 concentration in the process gas may only be achieved if the CO2 concentration in the lean solution is lower than the corresponding CO2 equilibrium concentration at the absorber head. This situation needs to be identified by the user, which requires additional manual iterations.

[0267] In this example, the user needs to define at least five main process parameters solution flow rate, absorber packing height, absorber diameter, reboiler duty and stripper diameter. The following table shows the results of these five process parameters as relative values ​​between example cases A and B.

[0268] Main process parameters Situation A Situation B Solution flow rate P1 16,35*P1 Absorber filling height P2 0,80*P2 Absorber diameter P3 1,55*P3 Reboiler duty P4 19,22*P4 Stripper diameter P5 4,27*P5

[0269] Applying the prior art process simulator, for case A, the user needs to perform many manual iterations to design the CO2 removal device. Although the results of case A are known, case B leads to very different conditions, which is not obvious to the user. Therefore, for case B, the user again needs a large number of manual iterations to design the CO2 removal equipment. These examples show that applying the prior art process simulator results in a large number of manual and time-consuming iterative steps, which makes the design process very tedious and inefficient.

[0270] Applying the present invention to exemplary cases A and B, and specifying five parameters - CO2 concentration in the process gas, maximum loading factor of CO2 in the absorber, safety factor of the absorber, CO2 loading factor at the top of the absorber, and safety factor of the stripper, the user will receive the results shown in the above table in one step of manual input. This leads to a significant simplification of the design process and a reduction in the time of the design process, and therefore to an increase in efficiency.

[0271] Any components described herein for implementing the methods described herein may be in the form of a computer system with one or more processing devices capable of executing computer instructions. The computer system may be communicatively coupled (e.g., networked) to other machines in a local area network, an intranet, an extranet, or the Internet. The computer system may be run in the capacity of a server or client machine in a client-server network environment, or as a peer machine in a point-to-point (or distributed) network environment. The computer system may be a PC (personal computer), a tablet PC, a PDA (personal digital assistant), a cellular phone, a network device, a server, a network router, a switch or a bridge, or any machine capable of executing a set of instructions (sequential or otherwise) specifying an action to be taken by the machine. In addition, it should be understood that the terms "computer system", "machine", "electronic circuit", etc. are not necessarily limited to a single component, and should be understood to include any set of machines that individually or collectively execute a set (or multiple sets) of instructions to execute any one or more of the methods discussed herein.

[0272] Some or all of the components of the computer system may be used or described by any component of the system 100, such as the client device 110, the database 120, and the determination server 130. In some embodiments, one or more of these components may be distributed among multiple devices, or may be incorporated into fewer devices than shown. The computer system may include, for example, one or more processing devices, main memory (e.g., ROM), flash memory, DRAM (dynamic random access memory) such as SDRAM (synchronous DRAM) or RDRAM (Rambus DRAM), etc.), static memory (e.g., flash memory, SRAM (static random access memory), etc.), and / or data storage devices, which communicate with each other via a bus.

[0273] The processing device may be a general processing device, such as a microprocessor, a microcontroller, a central processing unit, etc. More particularly, the processing device may be a CISC (complex instruction set computing) microprocessor, a RISC (reduced instruction set computing) microprocessor, a VLIW (very long instruction word) microprocessor, or a processor that implements other instruction sets or a processor that implements a combination of instruction sets. The processing device may also be one or more special processing devices, such as an ASIC (application-specific integrated circuit), an FPGA (field programmable gate array), a CPLD (complex programmable logic device), a DSP (digital signal processor), a network processor, etc. The methods, systems, and devices described herein may be implemented as software in a DSP, a microcontroller, or any other side processor or as a hardware circuit in an ASIC, CPLD, or FPGA. It should be understood that the term "processing device" may also refer to one or more processing devices, such as a distributed system (e.g., cloud computing) of processing devices located across multiple computer systems, and is not limited to a single device unless otherwise specified.

[0274] The computer system may further include a network interface device. The computer system may also include a video display unit (e.g., an LCD (liquid crystal display), a CRT (cathode ray tube) display, or a touch screen), an alphanumeric input device (e.g., a keyboard), a cursor control device (e.g., a mouse), and / or a signal generating device (e.g., a speaker).

[0275] Suitable data storage devices may include computer-readable storage media on which are stored one or more sets of instructions (e.g., software) embodying any one or more of the methods or functions described herein. During execution of the instructions by a computer system, a main memory, and a processing device, the instructions may also reside completely or at least partially in the main memory and / or in the processor, which may constitute a computer-readable storage medium. The instructions may further be sent or received over a network via a network interface device.

[0276] The computer program for implementing one or more embodiments described herein may be stored and / or distributed on an appropriate medium, such as an optical storage medium or solid-state medium provided with or as part of other hardware, but may also be distributed in other forms, such as via the Internet or other wired or wireless telecommunication systems. However, the computer program may also be presented via a network like the World Wide Web and may be downloaded from the network into the working memory of a data processor.

[0277] According to a further exemplary embodiment of the present invention, a data carrier or a data storage medium for making a computer program element available for downloading is provided, the computer program element being arranged to perform a method according to one of the previously described embodiments of the present invention.

[0278] The terms "computer-readable storage medium", "machine-readable storage medium", etc. should be understood to include a single medium or multiple media (e.g., a centralized or distributed database, and / or associated caches and servers) that store one or more sets of instructions. The terms "computer-readable storage medium", "machine-readable storage medium", etc. should also be understood to include any transient or non-transient medium that can store, encode, or carry a set of instructions for execution by a machine and cause the machine to perform any one or more methods of the present disclosure. Therefore, the term "computer-readable storage medium" should be understood to include, but is not limited to, solid-state memories, optical media, and magnetic media.

[0279] Some parts of the detailed description may have been presented in terms of algorithms and symbolic representations of the operation of data bits within a computer memory. These algorithmic descriptions and representations are the means by which those skilled in the art of data processing use to most effectively communicate the substance of their work to other persons skilled in the art. An algorithm is here and generally considered to be a self-consistent sequence of steps leading to a desired result. These steps are steps that require physical operation of physical quantities. Typically, although not necessarily, these quantities are in the form of electrical or magnetic signals that can be stored, transmitted, combined, compared, and otherwise manipulated. Mainly for general reasons, it has proven to be convenient at times to refer to these signals as bits, values, elements, symbols, characters, terms, numbers, etc.

[0280] It should be remembered, however, that all of these and similar terms are associated with the appropriate physical quantities and are merely convenient labels for these quantities. Unless specifically stated otherwise as apparent from the foregoing discussion, it should be understood that throughout the specification, discussions utilizing terms such as "receive," "retrieve," "transmit," "compute," "generate," "add," "subtract," "multiply," "divide," "select," "optimize," "calibrate," "detect," "store," "execute," "analyze," "determine," "enable," "identify," "modify," "transform," "apply," "extract," and the like refer to the actions and processes of a computer system or similar electronic computing device that manipulates and transforms data represented as physical (e.g., electronic) quantities within the computer system's registers and memories into other data similarly represented as physical quantities within the computer system's memories or registers or other such information storage, transmission, or display devices.

[0281] It must be noted that embodiments of the present invention are described with reference to different subject matters. In particular, some embodiments are described with reference to method type claims, whereas other embodiments are described with reference to apparatus type claims.

[0282] However, those skilled in the art will appreciate from the above and following descriptions that, unless otherwise indicated, in addition to any combination of features belonging to one type of subject matter, any combination of features relating to different subjects is also considered to be disclosed with the present application. However, all features may be combined to provide more synergistic effects than the simple sum of the features.

[0283] Although the present invention is illustrated and described in detail in the drawings and the foregoing description, the illustration and description should be considered as illustrative or exemplary rather than restrictive; the present invention is not limited to the disclosed embodiments. Other variations of the disclosed embodiments can be understood and implemented by those skilled in the art by studying the drawings, the disclosure, and the appended claims, and practicing the claimed invention. In some instances, in order to avoid obscuring the present disclosure, well-known structures and devices are shown in block diagram form rather than in detail.

[0284] In the claims, the word "comprising" does not exclude other elements or steps, and the indefinite article "a" or "an" does not exclude a plurality. A single processor or controller or other unit may fulfill the functions of several items recited in the claims. The mere fact that certain measures are recited in mutually different dependent claims does not indicate that a combination of these measures cannot be used to advantage. Any reference signs in the claims should not be construed as limiting the scope.

Claims

1. A method of determining unit operation of a chemical plant configured to remove acid gases from an inlet gas stream, the method being performed by a computer or a distributed computer system, wherein the method comprises: i) providing a first set of parameters for unit operation; ii) providing a second set of parameters for operation of the unit based on the provided first set of parameters and based on data retrieved from a database; iii) determining a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model includes a set of equations defining unit operations of the chemical device; iv) selecting a starting point for an equation-based solution method for the system of equations and selecting a starting distribution from a plurality of starting distributions via a metadata search, wherein the metadata is data associated with the starting point, wherein selecting the starting distribution is determined based on an input parameter that is closest to the metadata, wherein the starting distribution includes the starting point and the metadata, and wherein the starting point is selected at least in part from: -i) The first set of parameters; -ii) the second set of parameters; and -iii) data retrieved from the database; v) determining a resulting setting for a unit operation of the chemical plant using an equation-based solution method for a system of equations initialized by the selected starting point, wherein the resulting setting comprises a data set of variables and constants of the system of equations, The first set of parameters includes parameters required by a user of the chemical device and / or parameters used to specify the geometric dimensions of units of the chemical device, and the second set of parameters includes unspecified or complementary parameters about the first set of parameters determined using chemical parameters and / or physical parameters and / or physical property balance data, kinetic data, physical data, geometric data or geometric parameter model parameters specified by data retrieved from the database.

2. The method according to claim 1, Wherein the method further comprises the step of storing the first set of parameters and the resulting settings of the unit operation of the chemical device determined at least in part in the database.

3. The method according to claim 1 or 2, Wherein the step of selecting a starting point for an equation-based solution method for the system of equations comprises at least partially selecting a starting point of a previously executed equation-based solution method for the system of equations stored in the database.

4. The method according to claim 3, wherein the step of at least partially selecting a starting point of a previously executed equation-based solution method for the system of equations stored in the database comprises comparing the determined and stored resulting settings of the previously executed equation-based solution method with the desired settings for the determined current method, wherein, The first set of parameters for the operation of the unit comprises the desired settings.

5. The method of claim 1 , wherein the first set of parameters for the operation of the unit is provided by a client device; and / or wherein the second set of parameters for the operation of the unit is provided by a determination server communicatively coupled to the client device; and / or wherein the data is provided by a database server.

6. The method according to claim 1, wherein the first set of parameters for the operation of the unit includes at least one relative parameter; and / or wherein the second set of parameters for the operation of the unit includes at least one relative parameter; and / or wherein the data comprises at least one relative parameter, The relative parameter comprises a ratio of at least two corresponding parameters.

7. The method according to claim 1, The step of providing a second set of parameters for the operation of the unit based on the first set of parameters comprises: i) providing at least one parameter that is not specified by the first set of parameters; and / or ii) providing at least one parameter which is complementary to the first set of parameters.

8. A system for determining unit operation of a chemical plant configured to remove acid gases from an inlet gas stream, the system comprising: a determination server communicatively coupled to the client device and a database server comprising a database, wherein the determination server is configured to: Provide the first set of parameters for unit operation; providing a second set of parameters for operation of the unit based on the first set of parameters and based on data retrieved by the database server; determining a digital model of the chemical device based on the first set of parameters and the second set of parameters, wherein the digital model includes a set of equations defining unit operations of the chemical device; selecting a starting point for an equation-based solution method for the system of equations and selecting a starting distribution from a plurality of starting distributions via a metadata search, wherein the metadata is data associated with the starting point, wherein selecting the starting distribution is determined based on an input parameter that is closest to the metadata, wherein the starting distribution includes the starting point and the metadata, and wherein the starting point is selected at least in part from: i) a first set of parameters; ii) a second set of parameters; and iii) data retrieved from the database; and determining a resulting setting for a unit operation of the chemical plant using an equation-based solution method for a system of equations initialized by a selected starting point, wherein the resulting setting includes a data set of variables and constants of the system of equations, The first set of parameters includes parameters required by a user of the chemical device and / or parameters used to specify the geometric dimensions of units of the chemical device, and the second set of parameters includes unspecified or complementary parameters about the first set of parameters determined using chemical parameters and / or physical parameters and / or physical property balance data, kinetic data, physical data, geometric data or geometric parameter model parameters specified by data retrieved from the database, wherein the data retrieved from the database includes the chemical and physical properties of the gases involved, and the geometric properties of process pipelines and equipment items of materials or chemical devices.

9. The system according to claim 8, Wherein the system is further configured to store the selected starting point and the determined resulting settings of the unit operation of the chemical device in a database of the database server.

10. The system according to claim 8 or 9, Wherein the determination server is further configured to select a starting point for the equation-based solution method for the system of equations by at least partially selecting a starting point of a previously executed equation-based solution method for the system of equations stored in the database.

11. The system according to claim 10, wherein the determination server is further configured to select, at least in part, a starting point of a previously executed equation-based solution method stored in the database by comparing the determined and stored resulting settings of the previously executed equation-based solution method with desired settings for the determined current method, wherein, The first set of parameters for the operation of the unit includes the desired settings.

12. The system according to claim 8, The determination server is further configured to provide a second set of parameters for the operation of the unit based on the first set of parameters by: i) providing at least one parameter that is not specified by the first set of parameters; and / or ii) providing at least one parameter which is complementary to the first set of parameters.

13. The system according to claim 8, Wherein the determination server is further configured to provide a second set of parameters for operation of the unit based on the first set of parameters by determining unspecified or complementary parameters of the first set of parameters using chemical parameters specified by the data.

14. The system according to claim 8, wherein the first set of parameters for the operation of the unit includes at least one relative parameter; and / or wherein the second set of parameters for the operation of the unit includes at least one relative parameter; and / or wherein the data comprises at least one relative parameter, The relative parameter comprises a ratio of at least two corresponding parameters.

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