Macroscopic Simulation Method for Chemical Process Feasibility
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Solution Overview
Problem
Fine chemical and biotechnology industries face challenges in simulating chemical processes due to the need for extensive physico-chemical parameters, which are time- and cost-prohibitive, leading to underutilization of high-performance simulation tools and difficulties in predicting process behavior and feasibility.
Innovation Solution
A method and tool that allows for the simulation of chemical processes using a top-down approach with macroscopic models, enabling users to define raw materials, operation blocks, and equipment diagrams without requiring extensive physico-chemical data, focusing on overall process balances and performance criteria.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If detailed modeling with commercial simulation tools is used, then simulation accuracy is improved, but time and cost increase significantly
Solution Approach 1:
The patent segments the simulation process into two distinct levels: a high-level macroscopic model for rapid preliminary analysis and a detailed microscopic model for precise calculations. This segmentation allows users to start with the macroscopic model that requires minimal data and only switch to detailed modeling when necessary, resolving the contradiction between accuracy and time investment.
Solution Approach 2:
The patent creates a simplified copy of the detailed simulation tool in the form of a macroscopic model. This copy retains the essential functionality for process simulation while using a completely different, much simpler mathematical framework that does not require detailed physico-chemical parameters, enabling rapid analysis without the time cost of parameter determination.
2Measurement precision
If detailed modeling with commercial simulation tools is used, then simulation accuracy is improved, but cost increases significantly
Solution Approach 1:
The patent divides the simulation capability into two segments: an inexpensive macroscopic model for initial assessments and an expensive detailed model for final validation. This allows organizations to perform most simulations at the low cost level, reserving detailed modeling only for critical cases where it is truly necessary.
Solution Approach 2:
The patent provides a free or low-cost copy of the simulation functionality through the macroscopic model, which replicates the essential simulation capabilities without requiring the expensive detailed physico-chemical parameters. This copying approach makes simulation tools accessible to a broader audience including chemists and biochemists without process engineering expertise.
3Adaptability or versatility
If conventional simulation tools are used, then process simulation capability is improved, but ease of operation decreases due to complex parameter requirements
Solution Approach 1:
The patent fundamentally changes the type of parameters required for simulation, shifting from detailed physico-chemical parameters to macroscopic process parameters such as feed composition, operating conditions, and product specifications. This parameter transformation makes the tool accessible to chemists and biochemists who are familiar with these macroscopic parameters but lack expertise in detailed thermodynamic modeling.
Solution Approach 2:
The patent introduces an intermediary layer between the user and the detailed simulation engine. The macroscopic model acts as a mediator that translates high-level process descriptions into simulation inputs, eliminating the need for users to directly handle complex thermodynamic parameters while still achieving meaningful simulation results.
4Measurement precision
If extensive physico-chemical data collection is performed, then simulation accuracy is improved, but time and resource consumption increase
Solution Approach 1:
The patent performs preliminary simulations using the macroscopic model before investing time in data collection and detailed modeling. This preliminary action allows users to quickly assess process feasibility, identify critical parameters, and determine whether detailed study is warranted, thereby avoiding unnecessary time investment in data collection for cases where detailed modeling is not needed.
Solution Approach 2:
The patent applies partial action by using the simplified macroscopic model for most simulation needs rather than consistently applying the full detailed model. This partial use of the simpler model provides sufficient accuracy for preliminary evaluations and strategic decisions, reserving the more resource-intensive detailed modeling only for specific cases where it is truly necessary.
Data Source
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AI summary
The invention relates to a method implemented by a computer and a device for the simulation of an industrial installation for the operation of a chemical or biochemical process for the production of one or more final substances, respecting constraints relating to operating parameters of the industrial installation, in which (step 1) the inputs and outputs of the process are defined, (step 2) a scheme of operating blocks is defined, and overall process balances are determined and (step 3) the scheme of operating blocks is transformed into an equipment scheme, and the operating parameters of the industrial installation are determined, certain steps being able to be repeated until desired operating parameters are obtained.