Thermodynamic Phase Equilibrium Analysis Using Reduced Variables
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Solution Overview
Problem
Existing thermodynamic modeling systems face challenges in efficiently calculating phase equilibrium and predicting phase splits in complex mixtures, leading to high computational demands and potential failure in providing timely, accurate data for real-world applications.
Innovation Solution
A method and system that utilize a tangent hyperplane distance function to evaluate phase stability and pseudo-properties, reducing the number of variables in calculations and employing a thermodynamic process simulation application to estimate the probability of phase splits, thereby enhancing computational efficiency and accuracy.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If iterative calculations of complex thermodynamic equations are performed to accurately describe static views of dynamic systems, then measurement precision of phase equilibrium is improved, but processing time increases significantly
Solution Approach 1:
The patent pre-calculates and stores thermodynamic property data in lookup tables during an initialization phase. During actual phase equilibrium calculations, these pre-computed data are retrieved and used in simplified equations, eliminating the need for time-consuming iterative calculations during dynamic process simulation. This preliminary computation of complex thermodynamic properties enables fast, accurate phase stability assessments without requiring real-time complex equation solving.
Solution Approach 2:
The patent replaces complex iterative thermodynamic equation solving with a simplified algebraic approach using lookup tables and pre-computed data. Instead of performing computationally intensive iterative calculations during dynamic simulation, the system uses stored thermodynamic data to evaluate phase stability through simpler mathematical operations, substituting the complex computational mechanism with a more efficient data retrieval and processing approach.
2Reliability
If constant recalculations are performed to keep the model updated in real-time, then reliability of predictive models is improved, but device complexity and processing load increase
Solution Approach 1:
The patent performs complex thermodynamic property calculations and stores results in lookup tables during an initialization phase before actual dynamic simulation begins. During real-time process monitoring and prediction, the system retrieves pre-computed data from these tables and performs simple algebraic operations to assess phase stability, eliminating the need for complex iterative calculations during dynamic operation. This preliminary computation enables reliable real-time predictions with reduced computational complexity.
Solution Approach 2:
The patent creates simplified copies of the complex thermodynamic calculation system in the form of lookup tables containing pre-computed property data. Instead of executing the full complex thermodynamic equation solver during each real-time assessment, the system uses these simplified data copies that capture the essential thermodynamic behavior, enabling fast and reliable phase stability evaluation without the computational burden of the original complex model.
3Productivity
If the number of variables in thermodynamic calculations is reduced, then productivity of phase equilibrium determination is improved, but measurement precision may be compromised
Solution Approach 1:
The patent pre-calculates comprehensive thermodynamic property data for various compositions and conditions and stores it in lookup tables during initialization. This preliminary computation captures the essential thermodynamic behavior across the relevant parameter space. During actual phase equilibrium determination, the system retrieves appropriate pre-computed data and performs simple algebraic operations with reduced variables, maintaining high accuracy while achieving rapid calculation speeds because the complex relationships are already encoded in the lookup table data.
Solution Approach 2:
The patent substitutes complex multi-variable thermodynamic equation solving with a data-driven approach using lookup tables. The complex physics and mathematics of thermodynamic property relationships are pre-computed and stored as lookup data, replacing the need to solve complex equations in real-time. This substitution allows the system to work with reduced variables during actual calculations while maintaining measurement precision, as the lookup tables encapsulate the essential thermodynamic relationships.
Data Source
AI summary
A method of modeling phase characteristics of thermodynamic systems utilizing pseudo-properties strategy and a reduced number of variables is disclosed herein. The method describes a means of determining the probability of phase splitting of mixtures of materials at a given temperature, pressure, and composition by characterizing the functions that describe the system via pseudo-properties, and also by describing the system in n−1 or fewer variables, where n represents the number of components in the system of interest. In an embodiment, a multi-component system is characterized in one variable, thereby providing simplified thermodynamic models in a time-efficient manner. In addition, the information generated by this reduced-variable calculation can further be used as a starting point for calculations of equations of state.