Thermodynamic Model Selector

Prerequisites

• Component list defined
• Operating ranges specified
• Experimental data available
• Accuracy requirements known

Best Practices

• Consider all phase equilibria
• Validate with experimental data
• Document model selection rationale
• Assess sensitivity to parameters

Process Integration

This skill integrates with:

• Process Simulation Model Development
• Distillation Column Design
• Crystallization Process Design

Configuration

thermodynamic-model-selector:
  model-categories:
    - equation-of-state
    - activity-coefficient
    - specialized
  data-sources:
    - DECHEMA
    - NIST
    - DIPPR

Output Artifacts

• Model selection reports
• Parameter fitting results
• Validation comparisons
• Uncertainty assessments