green-chemistry-metrics

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"]}

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