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.
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.
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 () and Fedors (). |