Chemical Process Simulation Using Pseudo-State Variables
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Fine chemicals and biotechnology manufacturers face challenges in simulating chemical or biochemical processes due to limited information, leading to simplistic or overly complex methods that are either impractical or require extensive physicochemical parameter determination, making it difficult to predict process behavior and feasibility effectively.
Innovation Solution
A simulation system that uses pseudo-internal state variables to integrate explicit algebraic equations into algebro-differential equations, allowing for flexible modeling choices between simple and detailed simulations, enabling precise predictions with reduced parameter requirements and ease of use.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Manufacturing precision
If detailed modeling methods (e.g., Honeywell UNISIM) are used to improve manufacturing precision, then the number of required physicochemical parameters increases significantly, making the system overly complex and difficult to operate
Solution Approach 1:
The patent extracts only the essential physicochemical parameters needed for simulation from the complete set of parameters required by detailed modeling methods. By selecting and using only the necessary parameters (such as flow rates, temperatures, and key compositional data), the system achieves adequate simulation precision without requiring the extensive parameter sets that make detailed models overly complex and difficult to operate.
2Ease of operation
If simple empirical methods are used to improve ease of operation, then the number of scenarios that can be simulated is limited and optimization capabilities are reduced
Solution Approach 1:
The patent implements a dynamic simulation capability that allows the system to adapt to different operating conditions and scenarios. The simulation model can handle transient states and varying process conditions, enabling users to explore multiple scenarios and perform optimizations while maintaining ease of operation. This dynamic approach allows the same simple framework to be applied across diverse scenarios without requiring complex detailed models for each case.
3Measurement precision
If detailed modeling approaches are used to improve simulation accuracy, then the time required to determine parameters and perform simulations increases significantly
Solution Approach 1:
The patent extracts and utilizes only the essential physicochemical parameters that have the greatest impact on simulation accuracy. By identifying and using this minimal sufficient set of parameters rather than determining complete parameter sets required by detailed models, the system achieves adequate prediction accuracy while dramatically reducing the time required for parameter determination and simulation execution.
Data Source
Figure 1~2
Figure 3
Figure 4~5
AI summary
The present invention relates to a system for the computer simulation of a chemical process comprising a plurality of functional modules to perform respective levels of simulation of said chemical process, a storage module for storing experimental data relating to chemical species in a data structure usable by at least one functional module, a performance evaluation module, in which said process is defined by a set of files shared by all the modules of the system, each file comprising a description of a raw material and a description of a decomposition of this raw material into chemical species, said files being the inputs and outputs of said modules of the system, the decomposition into chemical species being retained throughout the treatments.