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Green Catalysis and Metrics

Designing catalytic processes that meet performance and sustainability goals.

mysimulator teamUpdated June 2026≈ 3 min read▶ Open the simulation

Principles

Catalyst activity/selectivity vs environmental impact

Benign solvents and energy efficiency

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Metrics

E-factor, PMI, atom economy, and lifecycle views to quantify sustainability.

Examples

Example: Greener Oxidation Route

Replace stoichiometric oxidants with catalytic O2/H2O2.

Switch to safer solvent.

Quantify PMI and energy savings.

Frequently asked questions

How to pick catalysts?

Balance performance with toxicity and scarcity.

Solvent choices?

Prefer green solvents or solvent-free routes.

Energy?

Use flow, microwaves, or photo/electrochemistry.

Measuring PMI?

Track all inputs with consistent units.

Waste reduction?

Optimize workup and recycling.

Scale-up?

Maintain selectivity and safety at scale.

Safety?

HAZOP and calorimetry for exotherms.

Documentation?

Report metrics and assumptions.

Costs?

Account for waste and energy savings.

Standards?

Adopt industry guidance and checklists.

Try it live

Everything above runs in your browser — open Reaction-Diffusion and change the parameters while it is running. Nothing is installed, nothing is uploaded, the whole model lives in one tab.

▶ Open Reaction-Diffusion simulation