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. 2019 Jan 30;9(7):4072–4081. doi: 10.1039/c8ra09706b

Systems of PEI/CO2/EtOH in MD simulations.

Compositions Number of PEI chain Number of CO2 Number of EtOH
PEI/scCO2 1 1000 0
PEI/CO2–15% EtOH 1 1000 150
PEI/CO2–30% EtOH 1 1000 300
PEI/CO2–45% EtOH 1 1000 450
PEI/CO2–60% EtOH 1 1000 600