Polymer
RadonPy PI1100, polyimide amorphous MD model
Open RadonPy computational screening card for a polyimide repeat unit with available amorphous-state physical, thermal, mechanical, dielectric, and optical predictions.
Properties
Physical
| Property | Value | Unit |
|---|---|---|
| Density | 1229.265414 | kg/m^3 |
Thermal
| Property | Value | Unit |
|---|---|---|
| Specific heat capacity, cp | 2406.587466 | J/kg/K |
| Specific heat capacity, cv | 2378.042066 | J/kg/K |
| Volumetric thermal expansion coefficient | 0.000204254 | 1/K |
| Linear thermal expansion coefficient | 6.81e-05 | 1/K |
| Thermal conductivity | 0.18898492 | W/m/K |
| Thermal diffusivity | 6.37e-08 | m^2/s |
Mechanical
| Property | Value | Unit |
|---|---|---|
| Bulk modulus | 2.741832122 | GPa |
| Isentropic bulk modulus | 2.775355632 | GPa |
Electrical
| Property | Value | Unit |
|---|---|---|
| Static dielectric constant, dipole-fluctuation term | 49.1047547 | - |
| Static dielectric constant, electronic-corrected | 50.63723246 | - |
Identity
| Property | Value | Unit |
|---|---|---|
| Repeat-unit SMILES | *c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(Oc4ccc5c(c4)C(C)(c4ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)cc4)CC5(C)C)c(C(F)(F)F)c3)cc1)C2=O | - |
| RadonPy polymer class | 13: polyimide | - |
Model
| Property | Value | Unit |
|---|---|---|
| Number-average molecular mass | 9205.918 | g/mol |
| Degree of polymerization | 8 | - |
Optical
| Property | Value | Unit |
|---|---|---|
| Refractive index | 1.591363698 | - |
Units
Condition
- Condition
- amorphous homopolymer computational model
- Product form
- periodic molecular-dynamics cell
- Thickness / diameter range
- Not applicable to the computational cell.
- Test direction
- Bulk isotropic modeled response.
- Processing route
- RadonPy automated all-atom classical molecular-dynamics workflow.
- Temperature range
- 300 ... 300 K
- Notes
- Classical MD screening result, not a measured grade datasheet. The method paper reports property-dependent bias/correlation limitations; additives, crystallinity, cure, aging, processing, and commercial-grade variation are not represented.
Standards
No material standards linked.
Record status
- Category
- Polymer
- Unit system
- Common SI