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Table 2 Experimental systems considered and the respective quantities used

From: Molecular simulation on carbon dioxide fixation routes towards synthesis of precursors for innovative urethanes

Experimental System 1 ES1-PDMS

Reagents

PDMS

CO2

TEAB

EG

12.4 mmol

excess

1% w

40 mL

Experimental System 2 ES2-CPDMS

Reactants

CPDMS

CO2

TEAB

EG

12.4 mmol

charged in reactor

1% w or 2% w

40 mL