Chemical Process Simulation Using Pseudo State Variables
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Solution Overview
Problem
Fine chemical and biotechnology industries face challenges in simulating complex chemical or biochemical processes due to limited information availability, especially in early development stages, leading to inaccurate and complex simulations that require numerous physicochemical parameters, making existing methods either simplistic or overly complex.
Innovation Solution
A computer-implemented simulation system that uses a combination of explicit algebraic and differential-algebraic equations, incorporating pseudo internal state variables to allow for flexible modeling of chemical or biochemical processes, enabling accurate and efficient simulation of complex scenarios with reduced parameter requirements.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If detailed process engineering methods with material and heat balances are used, then simulation accuracy is improved, but device complexity and parameter requirements increase significantly
Solution Approach 1:
The patent segments the simulation approach into two distinct methods: a simplified method using explicit algebraic equations for quick estimates, and a detailed method using differential-algebraic equations for accurate predictions. This segmentation allows users to choose the appropriate level of complexity based on their needs, resolving the contradiction between accuracy and complexity by providing both approaches in a unified system.
Solution Approach 2:
The patent introduces pseudo internal state variables that can be adjusted to control the level of detail in the simulation. By changing the number and type of parameters used (from minimal empirical data to comprehensive physicochemical properties), the system can adapt between simplified and detailed modeling approaches, thereby managing the trade-off between accuracy and complexity.
2Measurement precision
If detailed process engineering methods are used, then simulation accuracy is improved, but time and resources required increase
Solution Approach 1:
The patent implements a dynamic simulation capability that can adapt the level of detail and computational effort based on the specific requirements of each scenario. The system can switch between steady-state algebraic solutions for quick assessments and transient differential equations when dynamic behavior is critical, optimizing the balance between accuracy and computation time.
Solution Approach 2:
The system performs preliminary analysis using simplified algebraic equations to quickly assess whether a detailed simulation is necessary. This preliminary action filters out cases where simple estimates suffice, preventing unnecessary computational expense while ensuring that only cases requiring high accuracy proceed to the more time-consuming differential-algebraic modeling.
3Ease of manufacture
If empirical knowledge methods are used, then computational simplicity is improved, but the number of possible scenarios is limited
Solution Approach 1:
The patent creates a universal simulation platform that can handle multiple types of scenarios (batch, continuous, semi-continuous, recycling loops) through a unified mathematical framework. The system uses general differential-algebraic equations that can model various process configurations and operations, making it adaptable to diverse scenarios while maintaining ease of use through standardized input requirements.
Data Source
AI summary
The present invention relates to a system for the computer simulation of a chemical process comprising a plurality of functional modules for completing respective simulation levels of said chemical process, a storage module for storing experimental data relating to chemical species in a data structure that can be used by at least one functional module, a performance evacuation module, in which said process is defined by a set of files shared by ail 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 the outputs of said modules of the system, the decomposition into chemical species being preserved throughout the processing operations.