Table 1.
Cell vectors of the cubic periodic simulation box (in Å) after equilibration in the NpT ensemble for each systems with the globular polyethylene nanoparticle (PE‐PNP), and the dissociated polyethylene chains (PE‐Chains).
|
Solvent |
PE‐PNP |
PE‐Chains |
|---|---|---|
|
Saline |
92.1428 |
92.1478 |
|
Ethanol |
90.7434 |
– |
|
Tetrahydrofuran |
92.5610 |
– |
|
Toluene |
97.2398 |
97.2573 |
|
[C2C1Im][NTf2] |
86.6628 |
86.6478 |
|
[C4C1Im][NTf2] |
89.9599 |
– |
|
[C6C1Im][NTf2] |
93.0614 |
– |
|
[C8C1Im][NTf2] |
95.9671 |
95.9794 |
|
[C2C1Im][BF4] |
73.4861 |
73.4464 |
|
[C8C1Im][BF4] |
86.0987 |
85.9369 |