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name: green-chemistry-metrics description: Green chemistry metrics calculation skill for atom economy, E-factor, and process mass intensity allowed-tools:

• Read
• Write
• Glob
• Grep
• Edit
• Bash metadata: specialization: chemical-engineering domain: science category: Sustainability skill-id: CE-SK-024 graph: domains: [domain:chemical-engineering] skillAreas: [skill-area:statistical-analysis, skill-area:mathematical-reasoning, skill-area:data-analysis] workflows: [workflow:experiment-design] roles: [role:research-scientist, role:computational-scientist]

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Green Chemistry Metrics Skill

Purpose

The Green Chemistry Metrics Skill calculates and evaluates green chemistry metrics to assess process sustainability and guide process improvement toward greener alternatives.

Capabilities

• Atom economy calculation
• E-factor analysis
• Process mass intensity (PMI)
• Reaction mass efficiency
• Carbon efficiency
• Solvent intensity
• Energy intensity
• Water intensity
• Renewables fraction

Usage Guidelines

When to Use

• Evaluating process greenness
• Comparing synthesis routes
• Setting sustainability targets
• Tracking improvement progress

Prerequisites

• Process stoichiometry defined
• Mass balance available
• Solvent usage documented
• Energy consumption known

Best Practices

• Calculate multiple metrics
• Compare against benchmarks
• Track trends over time
• Consider full life cycle

Process Integration

This skill integrates with:

• Green Chemistry Metrics Evaluation
• Process Sustainability Assessment
• Waste Minimization Analysis

Configuration

green-chemistry-metrics:
  metrics:
    - atom-economy
    - e-factor
    - pmi
    - carbon-efficiency
  benchmarks:
    - pharmaceutical
    - fine-chemical
    - commodity

Output Artifacts

• Metrics calculations
• Benchmark comparisons
• Trend analyses
• Improvement recommendations
• Sustainability scorecards