KR102430223B1 - A method for improving the resolution of simulation for chemical reaction system combined with hydrodynamics analysis - Google Patents

Abstract

A method for improving the resolution of simulation of a chemical reaction system combined with hydrodynamic analysis includes the steps of preparing a computational fluid dynamics model, reducing the dimension of the computational fluid dynamics model, and adding a chemical reaction model to the computational fluid dynamics model to obtain physics building a chemical model, and increasing the resolution by enlarging the physicochemical model.

Description

A METHOD FOR IMPROVING THE RESOLUTION OF SIMULATION FOR CHEMICAL REACTION SYSTEM COMBINED WITH HYDRODYNAMICS ANALYSIS

The present invention relates to a method for improving the resolution of chemical reaction system simulation combined with hydrodynamic analysis.

Various commercial simulators and programs are provided in fluid dynamics and chemical reaction simulations. ANSYS and Fluent are representative fluid mechanics simulators, and they can create high-resolution and reduced-order models of physical systems. Since such a fluid dynamics simulator is focused on the realization of a physical system, it is common to reduce the amount of computation by ignoring or simplifying the internal chemical reaction.

Commercial programs such as ASPEN, HYSYS, gPROMS, and ChemCAD are representative chemical reaction system simulators. These commercial programs have excellent performance in chemical reaction simulation, but reduce the amount of computation by simplifying or simplifying physics models such as fluid dynamics. Depending on the technical field, it may be acceptable to sacrifice the rigor of either physics or chemistry, but in complex chemical and biochemical processes, high-precision physics simulation and chemical simulation may be required at the same time. For example, in the fields of large-scale bio plants, chemical plants, smart factories, etc., a large amount of material is reacted in a large-capacity reactor, so not only chemical and biochemical reactions but also fluid dynamics in which materials behave inside the reactor Modeling is also important.

Therefore, it is required to develop an efficient simulation method capable of performing fast calculations without sacrificing the accuracy of any modeling between physical modeling and chemical modeling.

US Patent Publication No. 2020-0363856 (2020.11.19)

In order to solve the above problems, the present invention is to provide a method for improving the resolution of chemical reaction system simulation combined with hydrodynamic analysis.

The problems to be solved by the present invention are not limited to the problems mentioned above, and other problems not mentioned will be clearly understood by those skilled in the art from the following description.

A method for improving the resolution of a chemical reaction system simulation combined with a fluid dynamics analysis according to the present invention comprises the steps of: preparing a computational fluid dynamics model;

dimensionally reducing the computational fluid dynamics model;

constructing a physicochemical model by adding a chemical reaction model to the computational fluid dynamics model; and

and increasing the resolution by enlarging the physicochemical model.

The step of dimensionally reducing the computational fluid dynamics model comprises:

comparing parameters of the dimensionally reduced computational fluid dynamics model and the non-dimensionally reduced computational fluid dynamics model; and

The method may further include; if the validity condition through parameter comparison is not satisfied, correcting the dimensionally reduced computational fluid dynamics model.

The step of modifying the dimensionally reduced computational fluid dynamics model may be a step of modifying the RTD (residence time distribution) of the reduced-dimensionally computational fluid dynamics model to be substantially the same as the RTD of the non-dimensionally reduced computational fluid dynamics model. have.

The step of constructing a physicochemical model by adding the chemical reaction may include selecting a target chemical reaction formula to be applied; experimentally determining the parameters of the target chemical equation at lab scale; and reflecting the target chemical reaction formula to the computational fluid dynamics model.

The step of constructing the physicochemical model by adding the chemical reaction may include: comparing the parameters of the physicochemical model with the measured parameters of the physicochemical system; and when the validity condition through parameter comparison is not satisfied, correcting the physicochemical model.

The modifying of the physical and chemical model may be performed to be substantially the same as the RTD of the physical and chemical model and the measured RTD of the physical and chemical system.

The step of increasing the resolution by enlarging the physicochemical model may include: constructing a mesh set by enlarging each mesh of the physicochemical model; a value of each expanded mesh set having the same data as that of the underlying mesh; and determining a numerical value by interpolating numerical values of adjacent meshes based on a fixed mesh value among each enlarged mesh set.

The step of constructing a mesh set by enlarging each mesh of the physicochemical model may be a step of expanding each mesh into a three-dimensional mesh set having the same shape.

The step of increasing the resolution by enlarging the physical and chemical model,

After enlarging the physicochemical model, determining whether the resolution condition is satisfied, if not satisfying the resolution condition, enlarging the physicochemical model again, and completing the construction of the physicochemical model if the resolution condition is satisfied; may include

The computer-readable storage medium storing the computer program is provided to perform the method of improving the resolution of the simulation of the chemical reaction system combined with the hydrodynamic analysis according to the above description.

The method for improving the resolution of a chemical reaction system simulation combined with a fluid dynamics analysis according to the present invention can have the effect of having the same level of precision as the computational fluid dynamics process and the chemical reaction system, but also having a fast calculation speed. Through this, companies and researchers in chemistry, biochemistry, biotechnology, and pharmaceuticals can reduce R&D time by more than 10 times.

The method for improving the resolution of chemical reaction system simulation combined with fluid dynamics analysis according to the present invention can primarily apply and verify the reduced order model of the computational fluid dynamics model. Second, the present invention can apply and verify the order-sensing model of the chemical reaction model. Finally, the present invention can increase the resolution of the chemical reaction model. Through these steps, the present invention can simulate a chemical reaction system combined with a detailed level of hydrodynamic analysis by restoring chemical precision.

Effects of the present invention are not limited to the effects mentioned above, and other effects not mentioned will be clearly understood by those skilled in the art from the following description.

1 is a flowchart illustrating an embodiment of a method for improving the resolution of a chemical reaction system simulation combined with a hydrodynamic analysis according to the present invention.
FIG. 2 is a diagram specifically illustrating a flowchart according to FIG. 1 .
3 is a view showing in detail the application and verification process of the reduced-order model of CFD.
4 is a view showing in detail the application and verification process of the chemical reaction system to the reduced-order CFD.
5 is a flowchart illustrating a method of increasing the resolution of a physicochemical model.
FIG. 6 is a view specifically visually illustrating a method of increasing the resolution according to FIG. 5 .
7 is a diagram specifically illustrating a process related to mesh interpolation.
8 is a flowchart illustrating another embodiment of a method for improving the resolution of a chemical reaction system simulation combined with a hydrodynamic analysis according to the present invention.

Hereinafter, preferred embodiments of the present disclosure will be described in detail with reference to the accompanying drawings. Advantages and features of the present disclosure and methods of achieving them will become apparent with reference to the embodiments described below in detail in conjunction with the accompanying drawings. However, the technical spirit of the present disclosure is not limited to the following embodiments, but may be implemented in various different forms, and only the following embodiments complete the technical spirit of the present disclosure, and in the technical field to which the present disclosure belongs It is provided to fully inform those of ordinary skill in the scope of the present disclosure, and the technical spirit of the present disclosure is only defined by the scope of the claims.

In adding reference numerals to the components of each drawing, it should be noted that the same components are given the same reference numerals as much as possible even though they are indicated on different drawings. In addition, in describing the present disclosure, if it is determined that a detailed description of a related known configuration or function may obscure the gist of the present disclosure, the detailed description thereof will be omitted.

Unless otherwise defined, all terms (including technical and scientific terms) used herein may be used with the meaning commonly understood by those of ordinary skill in the art to which this disclosure belongs. In addition, terms defined in a commonly used dictionary are not to be interpreted ideally or excessively unless clearly defined in particular. The terminology used herein is for the purpose of describing the embodiments and is not intended to limit the present disclosure. In this specification, the singular also includes the plural, unless specifically stated otherwise in the phrase.

In addition, in describing the components of the present disclosure, terms such as first, second, A, B, (a), (b), etc. may be used. These terms are only for distinguishing the elements from other elements, and the essence, order, or order of the elements are not limited by the terms. When it is described that a component is “connected”, “coupled” or “connected” to another component, the component may be directly connected or connected to the other component, but another component is between each component. It should be understood that elements may be “connected,” “coupled,” or “connected.”

As used herein, “comprises” and/or “comprising” refers to a referenced component, step, operation and/or element of one or more other components, steps, operations and/or elements. The presence or addition is not excluded.

A component included in one embodiment and a component having a common function may be described using the same name in another embodiment. Unless otherwise stated, the descriptions described in one embodiment may be applied to other embodiments, and specific descriptions will be omitted within the overlapping range or within the range that can be clearly understood by those skilled in the art. can

Hereinafter, some embodiments of the present disclosure will be described in detail with reference to the accompanying drawings.

1 is a flowchart illustrating an embodiment of a method for improving the resolution of a chemical reaction system simulation combined with a hydrodynamic analysis according to the present invention. FIG. 2 is a diagram specifically illustrating a flowchart according to FIG. 1 .

1 and 2, the resolution improvement method according to the present invention comprises the steps of preparing a physics-based computational fluid dynamics model (S100), reducing the dimension of the CFD model (S200), and adding a chemical reaction model to the computational fluid dynamics model. It may include a step (S500) of building a physico-chemical model by adding , and a step (S800) of increasing the resolution by enlarging a physical-chemical model (physico-chemical model).

The resolution improvement method according to the present invention may further include a step (S300) of verifying whether the dimension-reduced CFD model satisfies a validity condition after the step (S200) of reducing the dimension of the CFD model. In the verifying step (S300), if the verification is satisfied, it may proceed to the step (S500) of building the physicochemical model, and if dissatisfied, it may proceed to the step (S400) of correcting the CFD model by comparing it with the verification model.

The resolution improvement method according to the present invention may further include a step (S600) of verifying whether the physicochemical model satisfies a validity condition after the step (S500) of building the physicochemical model. In the verification step ( S500 ), if the verification is satisfied, the resolution may be increased ( S800 ), and if unsatisfactory, the physical and chemical model may be corrected in comparison with the measured data ( S700 ).

The step of increasing the resolution by enlarging the physical chemistry ( S800 ) may be a step of increasing the resolution of the physical chemistry model for which validation has been completed or modified. If the enlarged physical and chemical model satisfies the sufficient resolution (S900), the construction of the verified physical and chemical model of high resolution may be completed (S1000), and if not satisfied, increasing the resolution until sufficient resolution is satisfied ( S800) may be repeatedly performed.

The step of increasing the resolution by expanding the physical chemistry ( S800 ) may be a step of expanding the resolution of the CFD model in which an appropriate chemical reaction model is applied and the physical model can be verified. A method of enlarging the resolution of the model will be described later with reference to FIGS. 5 to 7 .

The step of determining whether the enlarged physical and chemical model satisfies sufficient resolution (S900) expands the model of physical chemistry until the user has the desired level of resolution, and if satisfied, the construction of the physical and chemical model is completed. It moves to step S1000, and if not satisfied, returns to step S800 again, and repeats until the resolution reaches a level desired by the user.

3 is a view showing in detail the application and verification process of the reduced-order model of CFD. Referring to FIG. 3 , the steps of reducing the dimension of the CFD model and verifying that the reduced dimension model has the same physical properties as the original CFD model are shown in detail.

The step of preparing a physics-based computational fluid dynamics model ( S100 ) is a step of preparing a computational fluid dynamics model reflecting the physical characteristics of the target system. Computational fluid dynamics (CFD) refers to simulating the interaction of fluids and gases through a computer that analyzes heat and fluid motion. Computational fluid dynamics model (hereinafter referred to as CFD model) can manage and simulate the fluid flow, free surface movement, and thermal management of the target system by predicting how the fluid moves with the force applied to the fluid.

Such a CFD model may be prepared in various ways according to a field targeted by a user, such as a target manufacturing process, a target factory, a target machine, and a target space, but is not limited thereto. Since the resolution improvement method according to the present invention is to apply a chemical reaction system together, it will be more effective when the target field is set to a chemical reaction related field such as a chemical process, a biological process, a biochemical process, a pharmaceutical process, a chemical plant, or a reaction silo. can

The preparation of the physics-based CFD model may be provided using simulation programs such as ANSYS or Fluent, and is not limited to specific examples. The provided CFD model may be able to predict the fluid behavior and thermodynamic behavior at a physically very precise level. However, in the case of such a CFD model, in the case of applying a chemical reaction system in that the calculation load is large only with the physical model, it is the prior art to include a simplified chemical reaction system. CFD meshes (or cells) range from tens to tens of millions depending on the precision, so if a strict chemical model is applied to each cell, the calculation of the residence time distribution is 5~ Because it takes 7 days.

This prior art is not a major problem in target fields where physical processes are more important, but the precision of simulations is greatly reduced in chemical/bio-related target fields such as chemical processes, biological processes, biochemical processes, pharmaceutical processes, chemical plants, and reaction silos. can be problematic. Therefore, we propose a method in which calculations such as residual time distribution can be performed within a few hours while maintaining the precision of the chemical reaction system through the following steps.

In the current step (S100), a CFD model of a general level that is not dimensionally reduced, for example, tens of thousands to tens of millions of meshes is prepared (hereinafter, the CFD model that is not dimensionally reduced is referred to as an original CFD model).

In the step of reducing the dimension of the CFD model ( S200 ), the mesh of the CFD model may be reduced from several to tens of levels. The dimensionality reduction model of the CFD model may be appropriately constructed by reflecting the physical geometry of the original CFD model and the characteristics of the target field. The user or the learned module can suggest several dimensionality reduction model samples that can be applied to the target field or the original CFD model.

Next, it is determined whether the proposed dimension-reduced CFD model reflects the characteristics of the original CFD model, ie, satisfies a validity condition (S300). Whether the CFD model is appropriately modeled and reflects the characteristics of the original system can be determined by whether the parameter value desired by the user is appropriately derived. Specifically, the parameters in the CFD model may include various parameters of temperature, pressure, concentration, and reduced time distribution. In the present invention, the criterion for feasibility study of the original CFD model and the dimensionally reduced CFD model may be the similarity of the residual time distribution. For example, if the residual time distributions of the original CFD model and the reduced-dimensional CFD model are substantially the same or fall within a predetermined error range, it is determined that the reduced-dimensional CFD model is a reasonable model that reflects the physical characteristics of the original CFD model well. can do. If it is determined as such a reasonable model, it may proceed to the step (S500) of building a physicochemical model. If the dimension-reduced CFD model does not satisfy the validity condition, the process may proceed to a step S400 of correcting the CFD model in comparison with the verification model.

The step of correcting the CFD model in contrast to the verification model (S400) is to convert the dimensionally reduced CFD model so that the parameters, which are the criteria for validation of the original CFD model and the dimensionally reduced CFD model, are substantially the same or come within a predetermined error range. This may be a correction step. For example, the criteria for the feasibility study may be determined based on the distribution of residence time.

4 is a view showing in detail the application and verification process of the chemical reaction system to the reduced-order CFD. Referring to FIG. 4 , the steps of applying and verifying the chemical reaction system to the dimensionally reduced CFD model are shown in detail.

The step of building a physicochemical model by adding a chemical reaction model to the CFD model (S500) is to build a physicochemical model by adding a chemical reaction model that matches the target field to the dimensionally reduced CFD model having the same characteristics as the original CFD model. is a step to The chemical reaction model may be determined by determining a reaction equation that can be operated on a lab scale according to a target field ( S510 ) and determining a parameter of the reaction equation ( S520 ).

For example, the chemical reaction equation may be a chemical reaction rate equation expressed by the following equation.

[Equation 1]

In Equation 1, k is a coefficient, [A] is the concentration of substance A, [B] is the concentration of substance B, [C] is the concentration of substance C, a, b, c are the exponents of the reaction equation, R can represent the rate of a chemical reaction.

After determining each coefficient so that this chemical equation can be operated on a laboratory scale in a continuous reaction process, the chemical equation can be applied to the reduced-dimensional CFD model.

Hereinafter, applicable examples of the chemical reaction formula for each example in each target field will be described.

<Example 1>

In an embodiment of a bio-process for producing amino acids, a chemical reaction formula may be determined in the following manner.

[Equation 2]

는 공정 설계에 있어서 마진에 따른 계수로, 예를 들어, 10% 마진의 경우 0.9일 수 있다.

는 글루타민(Glutamin)의 평균 보정 계수를,

는 글라이신(Glycine)의 평균 보정 계수를,

는 아미노산의 평균 보정 계수를 나타낸다.

,

,

는 각 아미노산 별 화학 반응식의 계수를 나타낸다. In Equation 2,

is a coefficient according to a margin in process design, and may be, for example, 0.9 in the case of a 10% margin.

is the average correction factor of glutamine,

is the average correction factor of glycine,

represents the average correction factor of amino acids.

,

,

represents the coefficient of the chemical reaction formula for each amino acid.

,

,

,

,

,

,

,

,

,

,

,

,

를 결정하면, 각 반응 속도인

,

,

를 결정할 수 있다.Experimentally, the count of each amino acid

,

,

,

,

,

,

,

,

,

,

,

,

is determined, the rate of each reaction is

,

,

can be decided

<Example 2>

In an embodiment of the crystallization kinetics process, the chemical equation may be determined in the following manner.

[Equation 3]

r _{Primary nucleation} = kpn S ^pn

kpn = kpn1 exp(kpn2 Zm_IMP)

pn = pn1 Zm_IMP + pn2

r _{Secondary nucleation} = ksn S ^sn1 Mt ^sn2

ksn = ksn1 exp(ksn2 Zm_IMP) + ksn3

sn1 = sn11 Zm_IMP + sn12

sn2 = sn21 exp(sn22 Zm_IMP) + sn23

r _{Crystal growth} = kg S ^g

kg = kgn1 exp(kgn2 Zm_IMP) + kgn3

g = g1 Zm_IMP + g2

Here, S represents the degree of supersaturation, and Zm_IMP represents the mass content ratio of impurities. Experimentally, kpn1, kpn2, pn1, and pn2 were determined for the primary crystallization, ksn1, ksn2, ksn3, sn11, sn12, sn21, sn22, sn23 were determined for the secondary crystallization, and kgn1, kgn2, kgn3, g1, g2 can be determined.

In addition, chemical equations are determined for various chemical processes, bioprocesses, and continuous processes, and chemical equations can be completed by determining each scale at a laboratory scale.

In the step S600 of determining whether the physicochemical model satisfies the validity condition, it is determined whether the CFD model to which the chemical reaction model is applied reflects the characteristics of the real physico-chemical system, that is, whether the validity condition is satisfied. . Unlike determining whether the CFD model to which the chemical reaction model has been applied reflects the characteristics of the original system, and whether the characteristics of the original CFD model composed of a high-resolution mesh are reflected in step S300, in step S600, It is required to determine whether the characteristics of the measured data are reflected or not. Specifically, the measured parameters of the physical and chemical system may include various parameters of temperature, pressure, concentration, and reduced time distribution. Obtaining the measured parameters of the actual physical and chemical system may be obtained based on data from the actual physical and chemical system in real environments such as factories, plants, and laboratories. Alternatively, physicochemical parameters in high-resolution simulations in which complex chemistry is applied to the original CFD model can be regarded as measured parameters. In the present invention, the criterion for feasibility study of the CFD model to which the actual measured parameters of the physical and chemical system and the chemical reaction model are applied may be the similarity of the retention time distribution. For example, if the residence time distribution of the CFD model to which the actual physical chemical system and the chemical reaction model is applied is substantially the same or falls within a predetermined error range, the CFD model to which the chemical reaction model is applied is the physico-chemical of the actual physical and chemical system. It can be determined that it is a reasonable model that reflects the characteristics well. When it is determined as such a reasonable model, the step ( S800 ) of increasing the resolution of the physicochemical model may be performed. If the CFD model to which the chemical reaction model is applied does not satisfy the validity condition, the process may proceed to the step S700 of correcting the physicochemical model by comparing it with actual measured data.

The step (S700) of correcting the physical and chemical model in comparison with the actual data is the chemical reaction such that the parameters, which are the criteria for feasibility study of the CFD model to which the actual physical and chemical system and the chemical reaction model are applied, are substantially the same or come within a predetermined error range. It may be a step of modifying the CFD model to which the model is applied. For example, the criteria for the feasibility study may be determined based on the distribution of residence time.

5 is a flowchart illustrating a method of increasing the resolution of a physicochemical model. FIG. 6 is a view specifically visually illustrating a method of increasing the resolution according to FIG. 5 . 7 is a diagram specifically illustrating a process related to mesh interpolation.

A method of increasing the resolution of a physicochemical model will be described in detail with reference to FIGS. 5 to 7 .

5 and 6, the step of increasing the resolution by enlarging the physical chemistry (S800) is the step of constructing a mesh set by enlarging each mesh of the physicochemical model in three dimensions (S810), the value of each enlarged mesh set has the same data as the underlying mesh (S820), fixing the data value of one mesh among the enlarged meshes (S830), setting the data value of one mesh adjacent to the mesh having the fixed data value as the surrounding mesh value It includes a step of determining and fixing a numerical value by interpolation based on ( S840 ), and a step of repeatedly performing interpolation until all data of the enlarged mesh is determined ( S850 ). The expanded physicochemical model may have a precision closer to the original CFD model while enabling high-precision physical prediction and chemical models.

Referring to FIG. 7 , the data value of a mesh having a fixed data value and one adjacent mesh is interpolated based on the surrounding mesh value to determine and fix the numerical value ( S840 ), with respect to the mesh A, the surrounding mesh The value is determined by interpolation based on the value, the value is determined by interpolating based on the surrounding mesh value for mesh A and adjacent B mesh, and the value is interpolated based on the surrounding mesh value for mesh B and adjacent mesh C. value can be determined.

8 is a flowchart illustrating another embodiment of a method for improving the resolution of a chemical reaction system simulation combined with a hydrodynamic analysis according to the present invention. The reaction system according to FIG. 8 further includes a step ( S1100 ) of determining whether the enlarged physicochemical model satisfies a validity condition based on the resolution improvement method according to FIG. 1 .

In the step of determining whether the validity condition is satisfied (S1100), if the determined result satisfies the validity condition, it proceeds to the resolution satisfaction determination step 900, and if the validity condition is not satisfied, the physical chemistry expanded by comparing it with the measured data It proceeds to the step of correcting the model (S1200).

In the step of determining whether the validity condition is satisfied (S1100), the RTD of the enlarged physical and chemical model and the residual time distribution of the actual physical and chemical system are compared to be substantially the same, or it can be determined to be satisfied if it is within a predetermined error range. .

The step of correcting the enlarged physical and chemical model ( S1200 ) may be a step of modifying the enlarged physical and chemical model so that the RTD of the enlarged physical and chemical model is substantially the same as the actual physical and chemical system or falls within a predetermined error range.

Since the steps other than those already described in FIG. 1 are duplicated, descriptions thereof will be omitted.

Exemplary embodiments have been disclosed in the drawings and specification as described above. Although the embodiments have been described using specific terms in the present specification, these are used only for the purpose of describing the technical spirit of the present disclosure, and are not used to limit the meaning or the scope of the present disclosure described in the claims. Therefore, it will be understood by those skilled in the art that various modifications and equivalent other embodiments are possible therefrom. Accordingly, the true technical protection scope of the present disclosure should be defined by the technical spirit of the appended claims.

Claims (10)

A method for improving the resolution of simulations of chemical reaction systems combined with hydrodynamic analysis is:
preparing a computational fluid dynamics model;
dimensionally reducing the computational fluid dynamics model;
constructing a physicochemical model by adding a chemical reaction model to the reduced-dimensional computational fluid dynamics model; and
Including; enlarging the physical and chemical model to increase the resolution;
The step of dimensionally reducing the computational fluid dynamics model comprises:
comparing parameters of the dimensionally reduced computational fluid dynamics model and the non-dimensionally reduced computational fluid dynamics model; and
If the validity condition through parameter comparison is not satisfied, modifying the dimensionally reduced computational fluid dynamics model;
The step of building a physicochemical model by adding the chemical reaction is,
comparing the parameters of the physical and chemical model with the actual parameters of the physical and chemical system; and
When the validity condition through parameter comparison is not satisfied, correcting the physicochemical model; A method for improving the resolution of simulation of a chemical reaction system combined with hydrodynamic analysis, comprising: a. delete The method of claim 1,
wherein the step of modifying the reduced-dimensional computational fluid dynamics model is a step of modifying the RTD (retention time distribution) of the reduced-dimensionally computational fluid dynamics model to be substantially the same as the RTD of the non-dimensionally reduced computational fluid dynamics model. A method to improve the resolution of simulations of chemical reaction systems combined with dynamic analysis. The method of claim 1,
The step of building a physicochemical model by adding the chemical reaction is,
selecting a target chemical equation to be applied;
experimentally determining the parameters of the target chemical equation at lab scale; and
Reflecting the target chemical reaction formula to the computational fluid dynamics model; a method for improving the resolution of simulation of a chemical reaction system combined with fluid dynamics analysis comprising a. delete The method of claim 1,
The step of revising the physicochemical model is a step of modifying the RTD of the physicochemical model to be substantially the same as the measured RTD of the physicochemical system. The method of claim 1,
The step of increasing the resolution by enlarging the physical and chemical model,
constructing a mesh set by enlarging each mesh of the physicochemical model;
a value of each expanded mesh set having the same data as that of the underlying mesh; and
A method of improving the resolution of a simulation of a chemical reaction system combined with hydrodynamic analysis, comprising: determining a numerical value by interpolating numerical values of adjacent meshes based on a fixed mesh value among each enlarged mesh set. 8. The method of claim 7,
The step of constructing a mesh set by enlarging each mesh of the physical and chemical model,
A method of improving the resolution of simulations of chemical reaction systems combined with hydrodynamic analysis, which is the step of expanding each mesh into a set of three-dimensional meshes of the same shape. The method of claim 1,
The step of increasing the resolution by enlarging the physical and chemical model,
After enlarging the physicochemical model, determining whether the resolution condition is satisfied, if not satisfying the resolution condition, enlarging the physicochemical model again, and completing the construction of the physicochemical model if the resolution condition is satisfied; A method to improve the resolution of simulations of chemical reaction systems combined with hydrodynamic analysis, including A computer readable computer program having stored thereon a computer program for performing the method of improving the resolution of the simulation of a chemical reaction system combined with the hydrodynamic analysis according to any one of claims 1, 3 to 4, 6 to 9 storage medium.

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