A generating device and method of a semiconductor factory pure water preparation simulation system

Abstract

This invention discloses a device and method for generating a simulation system for pure water preparation in a semiconductor factory. The device includes: a process generation module, which acquires raw water parameters and pure water requirement parameters, and generates a pure water preparation process path and process parameters based on a pure water process selection unit; and a dynamic pure water preparation simulation system built based on the pure water preparation process path and process parameters; and a parameter configuration module, which embeds a functional material configuration quantity calculation unit into the dynamic pure water preparation simulation system, and configures the functional materials for each process by combining process parameters, pure water requirement parameters, and basic properties of functional materials. The generation device provided by this invention can significantly improve the efficiency and parameter accuracy of pure water preparation process design in semiconductor factories, calculate the optimal configuration quantity of functional materials required for each process, and reduce the construction cost of the pure water preparation system in a semiconductor factory.

Description

Technical Field

[0001] This invention belongs to the field of semiconductor manufacturing technology, and specifically relates to a device and method for generating a simulation system for pure water preparation in a semiconductor factory. Background Technology

[0002] In the strategic industry of semiconductor manufacturing, which is technology-intensive, capital-intensive, and energy-intensive, pure water serves as a core auxiliary medium in the chip production process, and its purity directly affects process precision and final product yield. Therefore, pure water preparation systems have become an indispensable key supporting facility in semiconductor factories. Currently, the preparation process of semiconductor ultrapure water has formed a relatively mature complete system, corely covering three major processes: pretreatment, preparation, and polishing. Related research has also begun to focus on the simulation and optimization of the process flow.

[0003] However, in the field of semiconductor pure water preparation, existing technologies mainly suffer from the following problems: process design relies heavily on human experience, making it difficult to achieve precise linkage and matching of multiple parameters such as flow rate, pressure, and temperature among dozens of functional devices, resulting in lengthy design cycles and a high risk of front-end and back-end load imbalances; the configuration of key functional materials is estimated only based on static parameters provided by manufacturers, lacking dynamic calculations of the water quality gradient throughout the process and on-site operating conditions, leading to excessive material investment or rapid degradation; simultaneously, replacement and regeneration decisions during the operation and maintenance phase lack data support, making it impossible to predict material lifespan based on influent water quality fluctuations and equipment operating status, resulting in unplanned downtime or the risk of water quality exceeding standards. These problems permeate the entire process from initial design and material configuration to operation and maintenance, restricting system efficiency and stability.

[0004] To address the aforementioned issues, existing research has attempted to improve the system through simulation technology. For example, patent CN117950382A discloses a method and apparatus for constructing a simulation model of a pure water preparation system in a semiconductor factory. Its core lies in building a high-precision simulation model based on the logic of the entire pure water preparation process and material balance rules, enabling the visualization of the entire pure water preparation system's data and allowing real-time tracking and display of key water quality indicators for each process unit. However, this method still has significant limitations: firstly, it does not involve the overall design of the pure water preparation system's process route, nor does it achieve automatic optimization of core process parameters, making it difficult to improve the system's operating efficiency and cost control from the source; secondly, it lacks a linkage management mechanism with real-time data collection at the factory site, making it impossible to achieve dynamic simulation, early warning prediction, and closed-loop control based on on-site data.

[0005] In summary, building an intelligent, end-to-end pure water system design and operation and maintenance system has become an urgent need to improve the efficiency and stability of semiconductor factories.

[0006] Therefore, how to perform dynamic simulation of the process route and core parameters for semiconductor pure water preparation, and how to achieve dynamic control based on field data, are problems that urgently need to be solved by those skilled in the art. Summary of the Invention

[0007] To address the shortcomings of the existing technologies, this invention provides a device and method for generating a simulation system for pure water preparation in semiconductor factories. This integrated design solution, encompassing automatic generation of process routes and intelligent configuration of functional materials, eliminates the need for manual selection of process routes and verification of feasibility, significantly shortening the design cycle. Furthermore, it avoids potential defects in manual design, improving the reliability and accuracy of the solution.

[0008] In a first aspect, the present invention provides a device for generating a simulation system for pure water preparation in a semiconductor factory, specifically comprising: The process generation module acquires raw water parameters and pure water requirement parameters, and generates pure water preparation process paths and process parameters based on the pure water process selection unit. Furthermore, a dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters; The parameter configuration module embeds a functional material configuration quantity calculation unit into the dynamic pure water preparation simulation system. It combines process parameters, raw water parameters, pure water demand parameters, and basic properties of functional materials to configure the functional materials required for pure water preparation in each process.

[0009] Furthermore, raw water parameters include raw water quality; pure water demand parameters include pure water quality, pure water supply flow rate, pure water supply temperature, and pure water supply pressure; and process parameters include equipment type, equipment quantity, and equipment operating parameters.

[0010] Furthermore, based on the pure water process selection unit, a pure water preparation process path and process parameters are generated, specifically including: Determining the pure water preparation process path includes: identifying the impurities to be removed based on the raw water parameters and pure water requirement parameters; providing multiple process flows and corresponding steps required for pure water preparation based on the impurities to be removed; and determining the pure water preparation process path based on the process flows and corresponding steps, combined with the path template. The path template represents the pre-determined connection relationship between each step and other steps, which is obtained and determined through experience. A water balance diagram is generated by combining the pure water preparation process route and the pure water supply flow rate; Based on the water balance diagram, divide the pure water preparation process into steps and give the water production of each step. Based on the water production of each process and the parameters of each type of equipment in each process, determine the equipment type, quantity, and operating parameters of the corresponding process.

[0011] Furthermore, based on the water production of each process and the parameters of each type of equipment in each process, the equipment type, quantity, and operating parameters within the corresponding process are determined, including: Determine the type of equipment for each process based on the impurities to be removed in each process; The number of equipment corresponding to different equipment types is determined based on the water production of each process. Based on different equipment types and their corresponding quantities, determine the selection coefficients for different equipment types and their corresponding quantities; Based on the selection coefficients for different equipment types, determine the equipment type, quantity, and operating parameters for each process; the operating parameters are obtained based on the determined equipment type and quantity.

[0012] Furthermore, by combining the pure water preparation process route and the pure water supply flow rate, a water balance diagram is generated, specifically including: The target pure water production capacity of the pure water preparation process route is determined based on the pure water supply flow rate. The target pure water production rate is transferred in the reverse direction of the pure water preparation process until the required raw water volume is determined, and the process water supply and process water production of all processes in the pure water preparation process are given. Based on the process water supply and production of all steps in the pure water preparation process, a water balance diagram is presented.

[0013] Furthermore, based on the pure water preparation process route and parameters, a dynamic pure water preparation simulation system was built, specifically including: For each device, a corresponding device simulation unit is built, and the chemical reaction mapping function and impurity removal rate time curve are set. Based on the pure water preparation process route, the connection relationship of each equipment simulation unit is determined; Determine the mapping function for material type and the mapping function for material property; By connecting the simulation units of various devices and embedding material type mapping functions and material property mapping functions, a dynamic pure water preparation simulation system is built.

[0014] Furthermore, by connecting the various device simulation units and embedding material type mapping functions and material property mapping functions, a dynamic pure water preparation simulation system is built, including: Based on the connection relationship of each equipment simulation unit, the framework of the dynamic pure water preparation simulation system is given by connecting each equipment simulation unit. Obtain the process parameters of each equipment simulation unit, and combine them with the corresponding material type mapping function, material property mapping function, chemical reaction mapping function, and impurity removal rate time curve to give the parameter set of each equipment simulation unit, satisfying the following relationship:

[0015] In the formula, Let u be the parameter set of the equipment simulation unit u, React(u) be the chemical reaction mapping function of the equipment simulation unit u, Comp(u) be the material type mapping function of the equipment simulation unit u, η(u,q,t) be the impurity removal rate time curve of the equipment simulation unit u, representing the impurity removal rate of the equipment simulation unit u under the current functional material configuration amount q and running time t, Prop(u) be the material property mapping function corresponding to the equipment simulation unit u, and DeviceParams(u) be the process parameters corresponding to the equipment simulation unit u. Based on the framework of the dynamic pure water preparation simulation system and the parameter sets of each equipment simulation unit, the material transfer of the substances input to each equipment simulation unit is performed, and the dynamic pure water preparation simulation system is given, satisfying the following relationship:

[0016] In the formula, Let S be a universal quantifier, u be the equipment simulation unit, U be the set of all equipment simulation units in the pure water preparation process path, l be the substance input to equipment simulation unit u, l∈L, l' be the substance output by equipment simulation unit u, l'∈L, L be the total set of substances in the pure water preparation process path, and S be the total set of substances in the pure water preparation process path. l,In S represents the state parameters corresponding to the substance l in the input device simulation unit u. l',Out For the state parameters corresponding to substance l' output by the equipment simulation unit u, In u (l) is the device simulation unit for outputting substance l, Out u (l') represents the device simulation unit for receiving substance l', null represents an empty value, ∪ is the union of sets, and Γ represents the set of elements. u Let be the transfer function of the device simulation unit u.

[0017] Furthermore, the chemical reaction mapping function and the impurity removal rate time curve are set, specifically including: Based on the chemical reactions involved by the equipment corresponding to the equipment simulation unit, determine the chemical reaction mapping function between the equipment simulation unit and the chemical reaction library; Acquire the full-cycle historical impurity removal data for each device with different functional material configurations, and determine the impurity removal rate time curves for each device's corresponding simulation unit under different functional material configurations. Determine the mapping function for material type and the mapping function for material property, specifically including: Based on the chemical reactions and / or physical removals involved by the corresponding equipment in the equipment simulation unit, determine the substances before and after each chemical reaction and / or physical removal. Integrate all substances corresponding to chemical reactions and / or physical removals before and after in the equipment simulation unit, and establish a substance type mapping function between the equipment simulation unit and the substance library; Based on the substances corresponding to all chemical reactions and / or physical removals before and after in the equipment simulation unit, establish a material property mapping function between the substances corresponding to each equipment simulation unit and the material property library.

[0018] Furthermore, by combining process parameters, raw water parameters, pure water requirement parameters, and the basic properties of functional materials, the functional materials required for pure water preparation in each process are configured, specifically including: Initialize the functional material configuration of all equipment in each process, and simulate the process parameters and raw water parameters through a dynamic pure water preparation simulation system; By analyzing the deviation between the simulation results output by the dynamic pure water preparation simulation system and the pure water requirement parameters, the amount of functional materials configured in the dynamic pure water preparation simulation system can be adjusted. Repeat the simulation and adjustment process until the simulation output of the dynamic pure water preparation simulation system meets the pure water requirement parameters, and give the functional material configuration of the dynamic pure water preparation simulation system.

[0019] Furthermore, a dynamic pure water preparation simulation system is used to simulate process parameters and raw water parameters, specifically including: Based on process parameters and pure water supply flow rate, the inlet and outlet water volumes of each equipment simulation unit are determined; By using the impurity removal rate time curve of the dynamic pure water preparation simulation system, the initial energy material configuration amount is matched with the impurity removal rate of each equipment simulation unit. The dynamic pure water preparation simulation system is based on process parameters and matches the chemical reactions of each equipment simulation unit through a chemical reaction mapping function. The dynamic pure water preparation simulation system provides the substances entering and exiting each equipment simulation unit based on the chemical reactions and impurity removal rates of each equipment simulation unit. Based on the material type mapping function, the materials entering and leaving each equipment simulation unit are called to give the material set of each equipment simulation unit; based on the material property mapping function, the material properties of each material set are determined. The dynamic pure water preparation simulation system is based on the transfer function and combines the influent and effluent flow rates, chemical reactions, impurity removal rates, material sets, and material properties of each equipment simulation unit to perform material transfer on the raw water parameters and determine the effluent water quality of each equipment simulation unit.

[0020] Furthermore, it also includes a functional material monitoring module that is connected to the parameter configuration module to obtain the actual raw water parameters and the actual influent and effluent water quality of each device during the pure water preparation process, and provides the performance change results of the corresponding functional materials of each device in conjunction with the parameter configuration module. The parameter configuration module provides dynamic performance variation curves for the corresponding functional materials of each device, including: Based on the actual raw water parameters and the actual influent and effluent water quality of each device, the actual impurity removal rate of each device is given, and the corresponding impurity removal rate time curve is obtained. Based on the obtained impurity removal rate time curves of each device, and combined with the actual impurity removal rate of each device, the impurity removal rate at a predetermined time point after the current time point is determined. Based on the impurity removal rate of each device, the actual raw water parameters are simulated using a dynamic pure water preparation simulation system, and the effluent water quality of each device simulation unit is given. The effluent quality of each equipment simulation unit is compared with the pure water requirement parameters to determine whether the functional materials of each equipment simulation unit meet the requirements.

[0021] Secondly, the present invention also provides a method for generating a simulation system for the preparation of pure water in a semiconductor factory, using the aforementioned apparatus for generating a simulation system for the preparation of pure water in a semiconductor factory, specifically including the following steps: Obtain raw water parameters and pure water requirement parameters, and generate pure water preparation process path and process parameters based on the pure water process selection unit; A dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters. A functional material configuration calculation unit is embedded in the dynamic pure water preparation simulation system. By combining process parameters, raw water parameters, pure water demand parameters and basic properties of functional materials, the functional materials required for pure water preparation in each process are configured.

[0022] The present invention provides a device and method for generating a simulation system for pure water preparation in a semiconductor factory, which has at least the following beneficial effects: (1) Through the synergistic effect of the process generation module and the parameter configuration module, an integrated design process from automatic generation of process paths to intelligent configuration of functional materials is realized. Compared with the traditional design method that relies on manual experience, it can automatically match the standard process flow and generate customized solutions based on the user's personalized raw water parameters and pure water requirements, and simultaneously build a dynamic simulation model of the entire process, which significantly improves design efficiency and parameter matching accuracy. At the same time, by embedding a functional material configuration quantity calculation unit in the simulation model, and combining process parameters and basic properties of functional materials, the accurate calculation of functional material configuration quantity is realized, which effectively avoids investment waste and operational risks caused by excessive or insufficient configuration, and provides scientific, efficient and economical design support for the pure water preparation system of semiconductor factories.

[0023] (2) Through the complete logical chain from process flow determination, water balance diagram generation, process division to equipment selection, the transformation from demand input to equipment configuration can be completed automatically, improving the structured and automated level of process design, and is more suitable for complex and multi-process semiconductor pure water preparation scenarios.

[0024] (3) By setting up equipment simulation units, chemical reaction mapping functions and impurity removal rate time curves, a high-fidelity simulation model with physical and chemical mechanism support can be constructed, which can provide a reliable simulation basis for subsequent functional material configuration and operation and maintenance prediction, and enhance the model's authenticity and applicability.

[0025] (4) Through the functional material monitoring module, the simulation system for pure water preparation in semiconductor factories can be linked with the on-site operation data, which can dynamically invert the trend of functional material performance changes and predict the future water quality status; the simulation model in the design stage can be extended to the operation and maintenance stage, forming a closed-loop management mechanism of design-simulation-operation and maintenance, which significantly improves the intelligence level and reliability of system operation. Attached Figure Description

[0026] Figure 1 A schematic diagram of a generation device for a semiconductor factory pure water preparation simulation system provided by the present invention; Figure 2 An architectural diagram of a generation apparatus according to one embodiment of the present invention; Figure 3 A flowchart of the pure water preparation process path and process parameters provided in one embodiment of the present invention; Figure 4 A schematic diagram of a water balance diagram according to one embodiment of the present invention; Figure 5 A flowchart for constructing a dynamic pure water preparation simulation system according to one embodiment of the present invention; Figure 6 A flowchart illustrating the configuration of functional materials in one embodiment of the present invention; Figure 7 A flowchart of a dynamic performance change curve is provided for one embodiment of the present invention; Figure 8 The flowchart illustrates a method for generating a simulation system for pure water preparation in a semiconductor factory, as provided by this invention. Detailed Implementation

[0027] To better understand the above technical solutions, a detailed description of the solutions will be provided below in conjunction with the accompanying drawings and specific embodiments. Obviously, the described embodiments are merely some, not all, of the embodiments of the present invention. All other embodiments obtained by those skilled in the art based on the embodiments of the present invention without creative effort are within the scope of protection of the present invention.

[0028] The terminology used in the embodiments of this invention is for the purpose of describing particular embodiments only and is not intended to limit the invention. The singular forms “a,” “the,” and “the” as used in the embodiments of this invention and the appended claims are also intended to include the plural forms, and “multiple” generally includes at least two unless the context clearly indicates otherwise.

[0029] It should also be noted that the terms "comprising," "including," or any other variations thereof are intended to cover non-exclusive inclusion, such that an article or device that comprises a list of elements includes not only those elements but also other elements not expressly listed, or elements inherent to such an article or device. Without further limitation, an element defined by the phrase "comprising one..." does not exclude the presence of other identical elements in the article or device that includes said element.

[0030] Current technologies in the field of semiconductor pure water preparation suffer from several drawbacks. These include reliance on manual experience in process design leading to insufficient efficiency and precision; a lack of dynamic calculation for key material configuration resulting in wasted investment and reduced lifespan; and a lack of data support for replacement decisions during maintenance, leading to risks of water quality exceeding standards. Consequently, it is difficult to simultaneously achieve optimal system design performance, investment economy, and operational stability. Therefore, if... Figure 1 and Figure 2 As shown, the present invention provides a device for generating a simulation system for pure water preparation in a semiconductor factory, specifically comprising: The process generation module acquires raw water parameters and pure water requirement parameters, and generates pure water preparation process paths and process parameters based on the pure water process selection unit. Furthermore, a dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters; The parameter configuration module embeds a functional material configuration quantity calculation unit into the dynamic pure water preparation simulation system. It combines process parameters, raw water parameters, pure water demand parameters, and basic properties of functional materials to configure the functional materials required for pure water preparation in each process.

[0031] This invention replaces traditional manual experience-based design with automated processes, enabling rapid response to the personalized needs of different semiconductor factories and improving the adaptability and reliability of process solutions from the source. At the same time, it relies on simulation systems to perform quantitative calculations of functional material configurations, avoiding material waste or insufficient performance caused by experience-based estimations, laying a solid foundation for subsequent refined operation and maintenance, and realizing data integration and collaborative optimization between the design and operation and maintenance phases.

[0032] The raw water parameters include raw water quality; the pure water demand parameters include pure water quality, pure water supply flow rate, pure water supply temperature, and pure water supply pressure; and the process parameters include equipment type, equipment quantity, and equipment operating parameters. By comprehensively acquiring these key parameters, complete input information can be provided to the process generation module, ensuring that the generated process path accurately matches the actual raw water conditions and end-user water requirements. Simultaneously, it provides accurate data support for subsequent material balance, energy balance, and material configuration, thereby improving the realism and calculation accuracy of the simulation model.

[0033] Furthermore, such as Figure 3 As shown, based on the pure water process selection unit, a pure water preparation process path and process parameters are generated, specifically including: Determining the pure water preparation process path may include: identifying the impurities to be removed based on the raw water parameters and pure water requirement parameters; providing multiple process flows and corresponding steps required for pure water preparation based on the impurities to be removed; and determining the pure water preparation process path based on the process flows and corresponding steps, combined with a path template. The path template represents the pre-determined connection relationship between each step and other steps, which is obtained and determined through experience. A water balance diagram is generated by combining the pure water preparation process route and the pure water supply flow rate; Based on the water balance diagram, divide the pure water preparation process into steps and give the water production of each step. Based on the water production of each process and the parameters of each type of equipment in each process, determine the equipment type, quantity, and operating parameters for that process. This may include: Determine the type of equipment for each process based on the impurities to be removed in each process; The number of equipment corresponding to different equipment types is determined based on the water production of each process. Based on different equipment types and their corresponding quantities, selection coefficients are determined for each equipment type and its corresponding quantity. These selection coefficients are determined by the cost and / or historical failure rate of each equipment type for each quantity. Specifically, the cost or historical failure rate of each equipment type for each quantity can be normalized to provide the selection coefficients; alternatively, the cost and historical failure rate of each equipment type for each quantity can be normalized separately, and then the normalized cost and historical failure rate can be weighted and summed to provide the selection coefficients. Based on the selection coefficients for different equipment types, the equipment type, quantity, and operating parameters corresponding to each process are determined; the operating parameters are obtained based on the determined equipment type and quantity.

[0034] Complex process design tasks can be transformed into structured and automated calculation processes, which not only significantly shortens the design cycle, but also ensures a precise match between equipment selection and process requirements, avoiding the over-design or under-design problems common in manual selection, and providing an accurate physical model foundation for subsequent simulation modeling.

[0035] Specifically, a water balance diagram is generated by combining the pure water preparation process route and the pure water supply flow rate, including: The target pure water production capacity of the pure water preparation process route is determined based on the pure water supply flow rate. Based on water balance, the target pure water production volume is transferred from the reverse direction of the pure water preparation process path until the required raw water volume is determined, and the process water supply and process water production volume of all processes in the pure water preparation process path are given. Based on the process water supply and production of all steps in the pure water preparation process, a water balance diagram is presented.

[0036] This reverse recursive method can systematically consider the water quantity coupling relationship between each process, ensure the global rationality of water quantity allocation, and provide accurate water quantity boundary conditions for subsequent equipment scale determination and material configuration.

[0037] In practical applications, the pure water preparation process can include three sequentially connected standard processes: a pretreatment system, a deep desalination system, and a fine treatment system. Specifically, the process is: Pretreatment System → Deep Desalination System → Fine Treatment System. The pretreatment system includes processes such as a multi-layer media filter tower, a filtered water tank, an activated carbon filter tower, a mixed bed, and a degassing tower. The sequence is: Raw Water Tank → Multi-layer Media Filter Tower → Filtered Water Tank → Activated Carbon Filter Tower → Mixed Bed + Degassing Tower. The deep desalination system includes processes such as a demineralized water tank, a heat exchanger, ultraviolet sterilization, a reverse osmosis membrane, a TOC degrader, a mixed bed, and a degassing membrane. The sequence is: Demineralized Water Tank → Heat Exchanger → Ultraviolet Sterilization → Reverse Osmosis Membrane → TOC Degrader → Mixed Bed → Degassing Membrane. The fine treatment system includes processes such as a pure water storage tank, a heat exchanger, a TOC degrader, a polishing mixed bed, a degassing membrane, and terminal ultrafiltration. The sequence is: Pure Water Storage Tank → Heat Exchanger → TOC Degrader → Polishing Mixed Bed → Degassing Membrane → Terminal Ultrafiltration → POU Pure Water Consumption Terminal. The water balance diagram corresponding to this pure water preparation process is as follows: Figure 4 As shown, the raw water output from the raw water tank is a0. After passing through three consecutive standard process flows, the final pure water production is a3, which can meet the pure water supply demand.

[0038] like Figure 5 As shown, after determining the pure water preparation process path and parameters, a dynamic pure water preparation simulation system can be built based on the pure water preparation process path and parameters, specifically including: For each device, a corresponding device simulation unit is built, and the chemical reaction mapping function and impurity removal rate time curve are set. Based on the pure water preparation process route, the connection relationship of each equipment simulation unit is determined; Determine the mapping function for material type and the mapping function for material property; By connecting the simulation units of various devices and embedding material type mapping functions and material property mapping functions, a dynamic pure water preparation simulation system is built.

[0039] This construction method enables the simulation model to not only have the structural integrity of the process flow, but also to embed the chemical reaction mechanism and the performance degradation law of functional materials. It can realistically simulate the water quality changes and functional material aging phenomena in the actual operation process, and provide a high-fidelity digital twin platform for scheme verification in the design stage and performance prediction in the operation and maintenance stage.

[0040] Furthermore, the chemical reaction mapping function and the impurity removal rate time curve are set, specifically including: Based on the chemical reactions involved by the equipment corresponding to the equipment simulation unit, determine the chemical reaction mapping function between the equipment simulation unit and the chemical reaction library; Acquire the full-cycle historical impurity removal data for each device with different functional material configurations, and determine the impurity removal rate time curves for each device's corresponding simulation unit under different functional material configurations. Determine the mapping function for material type and the mapping function for material property, specifically including: Based on the chemical reactions and / or physical removals involved by the corresponding equipment in the equipment simulation unit, determine the substances before and after each chemical reaction and / or physical removal. Integrate all substances corresponding to chemical reactions and / or physical removals before and after in the equipment simulation unit, and establish a substance type mapping function between the equipment simulation unit and the substance library; Based on the substances corresponding to all chemical reactions and / or physical removals before and after in the equipment simulation unit, establish a material property mapping function between the substances corresponding to each equipment simulation unit and the material property library.

[0041] By establishing a mapping mechanism, the simulation system can accurately simulate chemical reaction processes and material change processes in actual processes, significantly improving the reliability and engineering applicability of simulation results.

[0042] Each dynamic pure water preparation simulation system requires a unified material type library and material property library, while each equipment simulation unit requires a chemical reaction library. The material type library contains all material types involved in the pure water preparation system. This database provides references such as material names and three-phase states in the process simulation, and it corresponds to the dynamic pure water preparation simulation system through a material type mapping function. This mapping function associates the equipment simulation unit with all the material types it involves, and can be retrieved from the material type library and used in the dynamic pure water preparation simulation system based on the equipment simulation unit. The material property library contains detailed parameters for all substances, such as molar mass, density, melting point, standard boiling point, critical temperature, critical pressure, and critical volume. It also corresponds to the dynamic pure water preparation simulation system through a material property mapping function. This mapping function maps each substance to its inherent set of physicochemical properties, and can be retrieved from the material property library and used in the dynamic pure water preparation simulation system based on the equipment simulation unit. The chemical reaction library contains the chemical equations involved in each device in the pure water preparation system. This database provides a reference for process flow simulation calculations and corresponds to the dynamic pure water preparation simulation system through chemical reaction mapping functions. These chemical reaction mapping functions are functions that associate a device unit with the set of chemical reactions occurring within it. During use, these functions are retrieved from the chemical reaction library and called upon in the dynamic pure water preparation simulation system. The substance type mapping function, substance property mapping function, and chemical reaction mapping function can all be implemented and called using Spring JDBC, MyBatis, or SQLAlchemy.

[0043] In practical applications, various device simulation units are connected, and material type mapping functions and material property mapping functions are embedded to build a dynamic pure water preparation simulation system, including: Based on the connection relationship of each equipment simulation unit, the framework of the dynamic pure water preparation simulation system is given by connecting each equipment simulation unit. Obtain the process parameters of each equipment simulation unit, and combine them with the corresponding material type mapping function, material property mapping function, chemical reaction mapping function, and impurity removal rate time curve to give the parameter set of each equipment simulation unit, satisfying the following relationship:

[0044] In the formula, Let u be the parameter set of the equipment simulation unit u, React(u) be the chemical reaction mapping function of the equipment simulation unit u, Comp(u) be the material type mapping function of the equipment simulation unit u, η(u,q,t) be the impurity removal rate time curve of the equipment simulation unit u, representing the impurity removal rate of the equipment simulation unit u under the current functional material configuration amount q and running time t, Prop(u) be the material property mapping function corresponding to the equipment simulation unit u, and DeviceParams(u) be the process parameters corresponding to the equipment simulation unit u, including equipment type, equipment quantity and equipment operating parameters. The equipment operating parameters include heat exchanger heat load, heat exchange area, heat transfer coefficient, pump power, valve pressure drop, pump head, etc. Based on the framework of the dynamic pure water preparation simulation system and the parameter sets of each equipment simulation unit, the material transfer of the substances input to each equipment simulation unit is performed, and the dynamic pure water preparation simulation system is given, satisfying the following relationship:

[0045] In the formula, It is a universal quantifier. This means that for each equipment simulation unit u in the set of equipment simulation units U, the following condition is satisfied: u is an equipment simulation unit, U is the set of all equipment simulation units in the pure water preparation process path, l is the substance input to equipment simulation unit u, l∈L, l' is the substance output by equipment simulation unit u, l'∈L, L is the total set of substances in the pure water preparation process path, and S l,In The input device simulation unit u contains the state parameters corresponding to the substance l. These state parameters include the substance's temperature, pressure, flow rate, etc. l',Out For the state parameters corresponding to substance l' output by the equipment simulation unit u, In u (l) is the device simulation unit for outputting substance l, Out u (l') is the device simulation unit for receiving substance l', ∪ is the union, null represents a null value, In uWhen (l)=null, S l,In For raw water parameters, Out u When (l')=null, S l',Out For pure water requirements, Γ u Let {S} be the transfer function of the device simulation unit u. l',Out |Out u (l')} represents the set of all material state parameters output by the device simulation unit u, Γ u ({S l,dst |dst u (l)};Θ u ) represents the transfer function Γ u The set of state parameters of all input substances acting on the device simulation unit u, and subject to the parameter set. Influence.

[0046] The transfer function, which takes the influent and effluent of each equipment simulation unit as input and quantitatively describes the comprehensive dynamic response relationship of the treatment process (e.g., physical adsorption, chemical reaction, hydraulic flow, etc.) when the water flows through the equipment simulation unit, is based on the influent and effluent. By establishing a mathematical mapping model between the influent and effluent, the dynamic characteristics analysis, effluent water quality prediction, process parameter optimization, and automatic control system design of the pure water preparation process can be realized, providing a quantitative mathematical basis for precise control and system simulation.

[0047] The architecture of the transfer function can be set according to the corresponding processing procedure of the device simulation unit, and then the model parameters of the transfer function are given through data verification. Different device simulation units correspond to different processing procedures, and therefore the architecture of the transfer function will also be different. Of course, even if device simulation units with similar processing procedures have similar or identical transfer function structures, their model parameters of the transfer function will still be different.

[0048] Specifically, a transfer function is used to transfer matter into each device simulation unit. The matter transfer is performed in the following manner: When the law of conservation of mass is applied to a process unit without chemical reaction under steady state, the material balance relationship is as follows:

[0049] In the formula: F u,i Let be the mass flow rate or molar flow rate of substance i. Input substances to the simulation unit process are positive, and output substances are negative; Ns is the total number of substances input and output to the device simulation unit; x u,i This refers to the mass fraction or mole fraction of substance i corresponding to the equipment simulation unit u.

[0050] When energy conservation is applied to a steady-state process, the energy balance relationship is as follows:

[0051] In the formula: F i h represents the mass flow rate or molar flow rate of substance i. u,i enthalpy per unit mass; dQ u,i / dt is the heat transfer rate across the process boundary; dW u,i / dt represents the rate at which work is transferred across the boundary.

[0052] During simulation, the transfer function calculation process of the device simulation unit includes: Preprocessing: If there are multiple inputs, calculate the equivalent input flow according to the mixing rules (such as in the case of merging). Call mapping: Determine the chemical reaction based on the chemical reaction mapping function of the equipment simulation unit, determine the substances involved based on the substance type mapping function of the equipment simulation unit, and obtain the substance attribute parameters through the substance attribute library; Material transfer: By using transfer functions to perform material balance, energy balance, and pressure calculations on the input materials of each equipment simulation unit, the output material parameters of each equipment simulation unit are determined; among which, Material balance: Calculate the flow rate of each substance based on the impurity removal rate and the stoichiometric relationship of the chemical reaction; furthermore, for the equipment simulation unit that performs physical removal, the flow rate of each substance is determined based on the impurity removal rate. Energy balance: Calculate the output temperature of the equipment simulation unit based on the process parameters of the equipment simulation unit (such as heat exchanger heat load and pump power) and energy conservation; Pressure calculation: Determine the output pressure of the equipment simulation unit based on the process parameters of the equipment simulation unit (such as valve pressure drop and pump head); Flow splitting: When the equipment simulation unit has multiple output ports (such as permeate and concentrate from reverse osmosis), the output flow rate of the equipment simulation unit is distributed according to the flow splitting coefficient, while the composition and temperature remain unchanged.

[0053] Furthermore, such as Figure 6 As shown, the parameter configuration module combines process parameters, raw water parameters, pure water requirement parameters, and basic properties of functional materials to configure the functional materials required for pure water preparation in each process, specifically including: Initialize the initial functional material configuration of all equipment in each process, and simulate the process parameters and raw water parameters through a dynamic pure water preparation simulation system; By analyzing the deviation between the simulation results output by the dynamic pure water preparation simulation system and the pure water requirement parameters, the amount of functional materials configured in the dynamic pure water preparation simulation system can be adjusted. Repeat the simulation and adjustment process until the simulation output of the dynamic pure water preparation simulation system meets the pure water requirement parameters, and give the functional material configuration of the dynamic pure water preparation simulation system.

[0054] Among these, a dynamic pure water preparation simulation system is used to simulate process parameters and raw water parameters, specifically including: Based on process parameters and pure water supply flow rate, the inlet and outlet water volumes of each equipment simulation unit are determined; By using the impurity removal rate time curve of the dynamic pure water preparation simulation system, the initial energy material configuration amount is matched with the impurity removal rate of each equipment simulation unit. The dynamic pure water preparation simulation system is based on process parameters and matches the chemical reactions of each equipment simulation unit through a chemical reaction mapping function. The dynamic pure water preparation simulation system provides the substances entering and exiting each equipment simulation unit based on the chemical reactions and impurity removal rates of each equipment simulation unit. Based on the material type mapping function, the materials entering and leaving each equipment simulation unit are called to give the material set of each equipment simulation unit; based on the material property mapping function, the material properties of each material set are determined. The dynamic pure water preparation simulation system is based on the transfer function and combines the influent and effluent flow rates, chemical reactions, impurity removal rates, material sets, and material properties of each equipment simulation unit to perform material transfer on the raw water parameters and determine the effluent water quality of each equipment simulation unit.

[0055] This simulation process strictly adheres to the principles of material conservation and reaction kinetics, dynamically reflecting the step-by-step purification effect of water in the process flow. It provides quantitative data support for adjusting the configuration of functional materials and lays the model foundation for subsequent operation and maintenance prediction. Furthermore, during each iteration of optimization, the parameter configuration module queries the characteristic curves of key functional materials based on the new configuration, obtaining the removal rate of each substance by the new key functional materials. It then adjusts the parameters in the process flow model, iterating multiple times until the configuration of key functional materials and water quality indicators reach equilibrium, forming the final pure water preparation system design. This iterative optimization mechanism (simulation and adjustment process) minimizes material usage while meeting water quality standards, thus significantly reducing initial investment costs and subsequent operation and maintenance burdens while ensuring system reliability. It effectively addresses the shortcomings of traditional, experience-based, and extensive functional material configuration in design.

[0056] For example, in the equipment simulation unit of a multi-media mixing filter (MMF), the main parameters for selection and design are the empty tower velocity LV and the filter diameter D = √(4Q ÷ πLV), where Q is the filter flow rate, and LV is determined based on empirical values, generally taken as 10-16 m³ / h, and should not exceed 17 m³ / h. The maximum design flow rate of a single MMF unit should also be within the LV range. Considering the stability of water flow during cleaning, the design quantity is N+1 or N+2. The internal filter media consists of two layers: a gravel support layer of approximately 400-600 mm at the bottom, and an anthracite layer with a filling height of 0.8-1.2 m on top, and a quartz sand filter layer with a filling height of 0.8-1.0 m. An expansion space of no less than 30% is reserved above the tank.

[0057] In the actual operation and maintenance phase, this invention can integrate on-site monitoring data into a dynamic pure water preparation simulation system. Based on the performance prediction curves of key functional materials, it guides material replacement cycles. First, based on the raw water quality and the inlet and outlet water quality at each stage, the current removal rate of each substance by the key materials is calculated. The performance prediction curves of the key functional materials are then queried to obtain the removal rate of each substance by the key functional materials at a predetermined time point (e.g., one week) after the current time point, and this rate is updated in the dynamic pure water preparation simulation system. The simulation yields the outlet water quality at each stage, which is compared with the product water quality of each simulated unit and the terminal water quality requirements. If the water quality meets the standards, monitoring continues. If the water quality does not meet the standards, equipment maintenance and replacement or regeneration of key materials are prompted.

[0058] Specifically, the generating device may also include a functional material monitoring module that is signal-connected to the parameter configuration module, used to acquire the actual raw water parameters and the actual inlet and outlet water quality of each device during the pure water preparation process, and to provide the performance change results of the corresponding functional materials of each device in conjunction with the parameter configuration module; Among them, such as Figure 7 As shown, the dynamic performance variation curves of the corresponding functional materials for each device are given in conjunction with the parameter configuration module, including: Based on the actual raw water parameters and the actual influent and effluent water quality of each device, the actual impurity removal rate of each device is given, and the corresponding impurity removal rate time curve is obtained; among them, the obtained impurity removal rate time curve is a known curve obtained by fitting historical data or experimental measurement. Based on the obtained impurity removal rate time curves of each device, and combined with the actual impurity removal rate of each device, the impurity removal rate at a predetermined time point after the current time point is determined. Based on the impurity removal rate of each device, the actual raw water parameters are simulated using a dynamic pure water preparation simulation system, and the effluent water quality of each device simulation unit is given. The effluent quality of each equipment simulation unit is compared with the pure water requirement parameters to determine whether the functional materials of each equipment simulation unit meet the requirements.

[0059] This functional material monitoring module enables deep integration of design simulation and operation and maintenance data, expanding the static simulation model into a dynamic prediction tool. It can not only effectively avoid resource waste caused by premature material replacement, but also prevent the risk of water quality exceeding standards due to material failure, thus significantly improving the intelligent operation and maintenance level and the economic efficiency of the semiconductor factory pure water preparation simulation system throughout its entire life cycle.

[0060] Current pure water preparation system process design, which relies heavily on manual experience, suffers from long design cycles and poor adaptability. This invention addresses this issue by using a process generation module and a parameter configuration module to automatically generate customized process schemes based on user input parameters such as water production volume and raw water quality, while simultaneously building a full-process simulation model (dynamic pure water preparation simulation system). This eliminates the need for manual process route selection and feasibility verification, significantly shortening the design cycle. Furthermore, the dynamic pure water preparation simulation system can simulate the operating conditions of the scheme in advance, avoiding potential defects in manual design and improving the reliability and accuracy of the scheme.

[0061] Furthermore, traditional parameter configurations often rely on fixed empirical values, making it difficult to achieve a balance between water quality compliance, energy consumption control, and material consumption. The parameter configuration module of this invention is deeply coupled with a dynamic pure water preparation simulation system, enabling iterative calculation of the optimal configuration of key materials through multi-condition simulation. This mechanism not only ensures that the effluent quality at each stage consistently meets the stringent requirements of semiconductor production, but also minimizes energy consumption and material costs while satisfying water quality standards, thereby improving the system's economic efficiency and resource utilization.

[0062] Existing simulation models / systems are mostly limited to the design phase, disconnected from the operation and maintenance (O&M) stage, resulting in a lack of data support for O&M decisions. This invention seamlessly applies simulation models / systems from the design phase to the O&M stage, combining critical material lifespan prediction curves with on-site operational data to dynamically predict water quality trends and accurately determine material replacement cycles. This design avoids waste caused by premature material replacement and prevents the risk of water quality exceeding standards due to material failure, achieving closed-loop management throughout the entire lifecycle from design to O&M and reducing the probability of unplanned system downtime.

[0063] This invention, through the organic integration of a process generation module, a parameter configuration module, and a functional material monitoring module, constructs a semiconductor factory pure water preparation simulation system generation device that integrates automatic design, intelligent configuration, and dynamic operation and maintenance. It boasts significant advantages such as high design efficiency, superior configuration accuracy, and rapid operation and maintenance response, providing a highly reliable and economical pure water supply guarantee for semiconductor manufacturing. Specifically, based on the clearly defined water production volume requirements and stringent water quality indicators of semiconductor factories—i.e., pure water requirement parameters—this invention automatically generates customized pure water preparation process paths and process parameter schemes through a built-in intelligent algorithm. Simultaneously, a full-process dynamic pure water preparation simulation system is built, enabling rapid verification of scheme feasibility and iterative optimization of parameters. This replaces the traditional manual experience-based design mode, significantly improving process design efficiency and parameter accuracy. Furthermore, a parameter configuration module for key functional materials is embedded in the full-process dynamic pure water preparation simulation system. Combining the process path, process parameters, water quality compliance thresholds, and the performance parameters of the functional materials themselves, it accurately calculates the optimal configuration quantity of functional materials at each stage of the process, reducing investment waste caused by over-configuration from the source and lowering the overall system construction cost. Finally, during the system operation and maintenance phase, the system collects multi-dimensional operating data such as on-site measured water quality, water production, and operating time in real time through the data interface. This data is then linked with the functional material monitoring module to build a dynamic prediction model based on the historical operating database and real-time operating conditions. This model accurately predicts the remaining service life of functional materials and scientifically defines the replacement cycle, thus avoiding material waste and investment redundancy while ensuring the long-term stable operation of the pure water preparation system and providing a highly reliable pure water supply guarantee for semiconductor production.

[0064] like Figure 8 As shown, the present invention also provides a method for generating a semiconductor factory pure water preparation simulation system, using the above-mentioned device for generating a semiconductor factory pure water preparation simulation system, specifically including the following steps: Obtain raw water parameters and pure water requirement parameters, and generate pure water preparation process path and process parameters based on the pure water process selection unit; A dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters. A functional material configuration calculation unit is embedded in the dynamic pure water preparation simulation system. By combining process parameters, raw water parameters, pure water demand parameters and basic properties of functional materials, the functional materials required for pure water preparation in each process are configured.

[0065] Although preferred embodiments of the invention have been described, those skilled in the art, upon learning the basic inventive concept, can make other changes and modifications to these embodiments. Therefore, the appended claims are intended to be interpreted as including both the preferred embodiments and all changes and modifications falling within the scope of the invention. Clearly, those skilled in the art can make various alterations and modifications to the invention without departing from its spirit and scope. Thus, if these modifications and modifications of the invention fall within the scope of the claims and their equivalents, the invention is also intended to include these modifications and modifications.

Claims

1. A device for generating a simulation system for pure water preparation in a semiconductor factory, characterized in that, Specifically, it includes: The process generation module acquires raw water parameters and pure water requirement parameters, and generates pure water preparation process paths and process parameters based on the pure water process selection unit. Furthermore, a dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters; The parameter configuration module embeds a functional material configuration quantity calculation unit into the dynamic pure water preparation simulation system. It combines process parameters, raw water parameters, pure water demand parameters, and basic properties of functional materials to configure the functional materials required for pure water preparation in each process.

2. The generating apparatus for the semiconductor factory pure water preparation simulation system as described in claim 1, characterized in that, Raw water parameters include raw water quality; pure water demand parameters include pure water quality, pure water supply flow rate, pure water supply temperature, and pure water supply pressure; process parameters include equipment type, equipment quantity, and equipment operating parameters.

3. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 2, characterized in that, Based on the pure water process selection unit, a pure water preparation process path and process parameters are generated, specifically including: Determine the process route for pure water preparation; A water balance diagram is generated by combining the pure water preparation process route and the pure water supply flow rate; Based on the water balance diagram, divide the pure water preparation process into steps and give the water production of each step. Based on the water production of each process and the parameters of each type of equipment in each process, determine the equipment type, quantity, and operating parameters of the corresponding process.

4. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 3, characterized in that, A water balance diagram is generated by combining the pure water preparation process route and the pure water supply flow rate, specifically including: The target pure water production capacity of the pure water preparation process route is determined based on the pure water supply flow rate. Based on the principle of water balance, the target pure water production volume is transferred in the reverse direction of the pure water preparation process until the required raw water volume is determined, and the process water supply and process water production volume of all processes in the pure water preparation process are given. Based on the process water supply and production of all steps in the pure water preparation process, a water balance diagram is presented.

5. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 3, characterized in that, Based on the pure water preparation process route and parameters, a dynamic pure water preparation simulation system was built, specifically including: For each device, a corresponding device simulation unit is built, and the chemical reaction mapping function and impurity removal rate time curve are set. Based on the pure water preparation process route, the connection relationship of each equipment simulation unit is determined; Determine the mapping function for material type and the mapping function for material property; By connecting the simulation units of various devices and embedding material type mapping functions and material property mapping functions, a dynamic pure water preparation simulation system is built.

6. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 5, characterized in that, Connect the various device simulation units and embed material type mapping functions and material property mapping functions to build a dynamic pure water preparation simulation system, including: Based on the connection relationship of each equipment simulation unit, the framework of the dynamic pure water preparation simulation system is given by connecting each equipment simulation unit. Obtain the process parameters of each equipment simulation unit, and combine them with the corresponding material type mapping function, material property mapping function, chemical reaction mapping function, and impurity removal rate time curve to give the parameter set of each equipment simulation unit, satisfying the following relationship: ； In the formula, Let u be the parameter set of the equipment simulation unit u, React(u) be the chemical reaction mapping function of the equipment simulation unit u, Comp(u) be the material type mapping function of the equipment simulation unit u, η(u,q,t) be the impurity removal rate time curve of the equipment simulation unit u, Prop(u) be the material property mapping function corresponding to the equipment simulation unit u, and DeviceParams(u) be the process parameters corresponding to the equipment simulation unit u. Based on the framework of the dynamic pure water preparation simulation system and the parameter sets of each equipment simulation unit, the material transfer of the substances input to each equipment simulation unit is performed, and the dynamic pure water preparation simulation system is given, satisfying the following relationship: ； In the formula, Let S be a universal quantifier, u be the equipment simulation unit, U be the set of all equipment simulation units in the pure water preparation process path, l be the substance input to equipment simulation unit u, l∈L, l' be the substance output by equipment simulation unit u, l'∈L, L be the total set of substances in the pure water preparation process path, and S be the total set of substances in the pure water preparation process path. l,In S represents the state parameters corresponding to the substance l in the input device simulation unit u. l',Out For the state parameters corresponding to substance l' output by the equipment simulation unit u, In u (l) is the device simulation unit for outputting substance l, Out u (l') represents the device simulation unit for receiving substance l', ∪ is the union, null represents a null value, and Γ u Let be the transfer function of the device simulation unit u.

7. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 6, characterized in that, Based on process parameters, raw water parameters, pure water requirement parameters, and the basic properties of functional materials, the functional materials required for pure water preparation in each process are configured, specifically including: Initialize the functional material configuration of all equipment in each process, and simulate the process parameters and raw water parameters through a dynamic pure water preparation simulation system; By analyzing the deviation between the simulation results output by the dynamic pure water preparation simulation system and the pure water requirement parameters, the amount of functional materials configured in the dynamic pure water preparation simulation system can be adjusted. Repeat the simulation and adjustment process until the simulation output of the dynamic pure water preparation simulation system meets the pure water requirement parameters, and give the functional material configuration of the dynamic pure water preparation simulation system.

8. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in claim 7, characterized in that, The process parameters and raw water parameters are simulated using a dynamic pure water preparation simulation system, specifically including: Based on process parameters and pure water supply flow rate, the inlet and outlet water volumes of each equipment simulation unit are determined; By using the impurity removal rate time curve of the dynamic pure water preparation simulation system, the initial energy material configuration amount is matched with the impurity removal rate of each equipment simulation unit. The dynamic pure water preparation simulation system is based on process parameters and matches the chemical reactions of each equipment simulation unit through a chemical reaction mapping function. The dynamic pure water preparation simulation system provides the substances entering and exiting each equipment simulation unit based on the chemical reactions and impurity removal rates of each equipment simulation unit. Based on the material type mapping function, the materials entering and leaving each equipment simulation unit are called to give the material set of each equipment simulation unit; based on the material property mapping function, the material properties of each material set are determined. The dynamic pure water preparation simulation system is based on the transfer function and combines the influent and effluent flow rates, chemical reactions, impurity removal rates, material sets, and material properties of each equipment simulation unit to perform material transfer on the raw water parameters and determine the effluent water quality of each equipment simulation unit.

9. The apparatus for generating a semiconductor factory pure water preparation simulation system as described in any one of claims 1-8, characterized in that, It also includes a functional material monitoring module that is connected to the parameter configuration module to obtain the actual raw water parameters and the actual influent and effluent water quality of each device during the pure water preparation process, and provides the performance change results of the corresponding functional materials of each device in conjunction with the parameter configuration module. The parameter configuration module provides dynamic performance variation curves for the corresponding functional materials of each device, including: Based on the actual raw water parameters and the actual influent and effluent water quality of each device, the actual impurity removal rate of each device is given, and the corresponding impurity removal rate time curve is obtained. Based on the obtained impurity removal rate time curves of each device, and combined with the actual impurity removal rate of each device, the impurity removal rate at a predetermined time point after the current time point is determined. Based on the impurity removal rate of each device, the actual raw water parameters are simulated using a dynamic pure water preparation simulation system, and the effluent water quality of each device simulation unit is given. The effluent quality of each equipment simulation unit is compared with the pure water requirement parameters to determine whether the functional materials of each equipment simulation unit meet the requirements.

10. A method for generating a simulation system for pure water preparation in a semiconductor factory, characterized in that, The apparatus for generating a semiconductor factory pure water preparation simulation system as described in any one of claims 1-9 specifically includes the following steps: Obtain raw water parameters and pure water requirement parameters, and generate pure water preparation process path and process parameters based on the pure water process selection unit; A dynamic pure water preparation simulation system was built based on the pure water preparation process route and process parameters. A functional material configuration calculation unit is embedded in the dynamic pure water preparation simulation system. By combining process parameters, raw water parameters, pure water demand parameters and basic properties of functional materials, the functional materials required for pure water preparation in each process are configured.

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