Rate pathways by yield, waste, and energy. Reveal greener chemistry choices with balanced process metrics. Build cleaner routes with confident data driven decisions today.
This calculator uses a stacked page layout, while the input grid shifts to three columns on large screens, two on medium, and one on mobile.
| Product (g) | Reactants Total (g) | Solvent (g) | Yield (%) | Energy (kWh) | PMI | E-Factor | RME (%) | Approx. Atom Economy (%) | Eco Score |
|---|---|---|---|---|---|---|---|---|---|
| 85 | 127 | 180 | 82 | 3.8 | 3.84 | 3.12 | 66.93 | 81.62 | 55.97 |
1. Total Reactant Mass
Reactant A + Reactant B + Reactant C
2. Effective Catalyst Burden
Catalyst Mass ÷ Reuse Cycles
3. Process Mass Intensity (PMI)
(Reactants + Solvent + Auxiliary + Effective Catalyst) ÷ Product Mass
4. Adjusted Waste
max(Total Input Mass − Product Mass, 0) × Waste Treatment Factor
5. E-Factor
Adjusted Waste ÷ Product Mass
6. Reaction Mass Efficiency (RME)
(Product Mass ÷ Total Reactant Mass) × 100
7. Approximate Atom Economy
[(Product Mass ÷ (Yield/100)) ÷ Total Reactant Mass] × 100
8. Energy Intensity
Energy Used (kWh) ÷ Product Mass (kg)
9. Carbon Intensity
(Energy Used × Grid Emission Factor) ÷ Product Mass (kg)
10. Overall Eco Route Score
Weighted screening score using atom economy, RME, PMI, E-factor, energy demand, solvent hazard, and renewable feedstock share.
It screens a chemistry route for sustainability using mass efficiency, waste generation, energy demand, solvent hazard, and renewable feedstock share. It helps compare route quality before deeper lab or plant analysis.
No. This version uses a mass-based approximation when detailed stoichiometric molecular weights are unavailable. It is best for practical screening, not formal publication-grade mechanistic reporting.
A route can look efficient by mass yet still rely on problematic solvents. The hazard score penalizes routes that may create safety, health, or environmental concerns during scale-up.
Lower PMI values are generally better because they indicate less total material input per unit of product. Acceptable ranges depend on chemistry type, purification burden, and production scale.
Not all waste streams have equal environmental burden. The factor lets you inflate or soften waste impact based on disposal difficulty, treatment intensity, or regulatory handling requirements.
Yes. Run the calculator once for each route, export both summaries, and compare their PMI, E-factor, energy intensity, and overall sustainability score side by side.
It estimates greenhouse burden from electricity use by combining energy demand with the selected grid emission factor. It is helpful when heating, cooling, drying, or distillation dominate the process.
It is useful for early route selection and improvement targeting. Final scale-up decisions still need detailed kinetics, separations analysis, solvent recovery data, safety review, and economics.
Important Note: All the Calculators listed in this site are for educational purpose only and we do not guarentee the accuracy of results. Please do consult with other sources as well.