Simulation

Results

Atom Economy % MWp/MWr×100
PMI kg/kg Total mass / product mass
E-Factor kg/kg Waste / product
Water Intensity L/kg Water used / product mass
Energy Intensity MJ/kg Energy / product mass
RME % Product / all reactants×100
Carbon Efficiency % C in product / C in reactants×100
Stoich. Factor Actual / stoich. mol ratio
Solvent Intensity mL/g Solvent vol / product mass
Carbon Footprint kg CO₂/kg CO₂-eq / product mass
Optimum Efficiency % AE × RY / 100
Eff. Mass Yield % Useful product / hazardous×100
Reaction Mass Int. kg/kg Reactant mass / product mass
Reaction Yield % Actual / theoretical×100
Material Recovery % Recovered / input×100

Input Parameters

MM Desired Product 150g/mol
11000
MM Total Reactants 300g/mol
12000
Total Input Materials 500g
15000
Total Reactants Mass 300g
15000
Total Waste Mass 200g
05000
Total Water 100mL
05000
Total Solvent 150mL
05000
Hazardous Materials 50g
02000
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