thermodynamic-model-selector

# Thermodynamic Model Selector Skill ## Purpose The Thermodynamic Model Selector Skill guides selection of appropriate thermodynamic property methods based on component characteristics, operating conditions, and accuracy requirements. ## Capabilities - Component analysis (polarity, association, electrolytes) - Operating condition assessment - Property method recommendation - Binary interaction parameter fitting - VLE/LLE data regression - Model validation against experimental data - Uncertainty quantification ## Usage Guidelines ### When to Use - Selecting property methods for simulation - Fitting interaction parameters - Validating thermodynamic models - Assessing model uncertainty ### 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 ```yaml 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