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 |