nanocatalyst-performance-analyzer

Nanocatalyst Performance Analyzer

Purpose

The Nanocatalyst Performance Analyzer skill provides comprehensive evaluation of nanomaterial catalyst performance, enabling systematic assessment of activity, selectivity, and stability for catalytic applications.

Capabilities

• Turnover frequency (TOF) calculation
• Selectivity analysis
• Activation energy determination
• Stability and recyclability testing
• Surface area normalization (BET)
• Reaction mechanism investigation

Usage Guidelines

Catalyst Evaluation

1. Activity Assessment

• Measure conversion vs time
• Calculate TOF
• Normalize to surface area

1. Selectivity Analysis

• Identify products
• Calculate selectivities
• Map reaction pathways

1. Stability Testing

• Run recyclability tests
• Monitor deactivation
• Characterize spent catalyst

Process Integration

• Nanocatalyst Development and Performance Optimization

Input Schema

{
  "catalyst_id": "string",
  "reaction": "string",
  "reactants": [{"name": "string", "concentration": "number"}],
  "temperature": "number (C)",
  "pressure": "number (atm)",
  "catalyst_mass": "number (mg)"
}

Output Schema

{
  "activity": {
    "conversion": "number (%)",
    "tof": "number (1/s)",
    "specific_activity": "number (mol/g/s)"
  },
  "selectivity": [{
    "product": "string",
    "selectivity": "number (%)"
  }],
  "kinetics": {
    "activation_energy": "number (kJ/mol)",
    "rate_law": "string"
  },
  "stability": {
    "cycles_tested": "number",
    "activity_retention": "number (%)"
  }
}