Main functions of J-OCTA
Interface, phase separation simulation (SUSHI
, COGNAC-DPD
)
- Using the mean field method (SUSHI
) and the dissipative particle dynamics method (COGNAC-DPD
), phase-separated structure and interfacial geometry, etc. can be estimated for materials including block copolymers and molecules with various structures.
- Possesses a function for estimating interaction parameters (χ parameters).
- Mesh creating function of phase separated structure for Finite Element Method. Creating mesh structure based on the shape of interface, and Export of the volume fraction distribution to regular mesh.
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Analysis of Polyelectrolyte Membrane for Fuel Cell | Mesh Creating Function of phase separated structure for Finite Element Method |
- KRI-NIWA method (new group contribution method)
This method has been developed by KRI, Inc.. This provides accurate prediction values of solubility parameter. This function is offered as an optional function.
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Computational accuracy of chemical compounds chosen for structural analysis of this computational method | Computational accuracy of chemical compounds that were not chosen for structural analysis of this computational method |
Comparison between KRI-NIWA ( ![]() ![]() |