Polymer
RadonPy PI1113, 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 | 1211.912125 | kg/m^3 |
Thermal
| Property | Value | Unit |
|---|---|---|
| Specific heat capacity, cp | 2574.39182 | J/kg/K |
| Specific heat capacity, cv | 2547.307801 | J/kg/K |
| Volumetric thermal expansion coefficient | 0.000173616 | 1/K |
| Linear thermal expansion coefficient | 5.79e-05 | 1/K |
| Thermal conductivity | 0.233545227 | W/m/K |
| Thermal diffusivity | 7.48e-08 | m^2/s |
Mechanical
| Property | Value | Unit |
|---|---|---|
| Bulk modulus | 3.52005696 | GPa |
| Isentropic bulk modulus | 3.556658616 | GPa |
Electrical
| Property | Value | Unit |
|---|---|---|
| Static dielectric constant, dipole-fluctuation term | 48.06831737 | - |
| Static dielectric constant, electronic-corrected | 49.99758104 | - |
Identity
| Property | Value | Unit |
|---|---|---|
| Repeat-unit SMILES | *C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Sc6ccc(Oc7ccc(Sc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1 | - |
| RadonPy polymer class | 13: polyimide | - |
Model
| Property | Value | Unit |
|---|---|---|
| Number-average molecular mass | 8647.766 | g/mol |
| Degree of polymerization | 8 | - |
Optical
| Property | Value | Unit |
|---|---|---|
| Refractive index | 1.711504088 | - |
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