COSMOtherm CMC standalone calculation

Dear all,

I am currently calculating the critical micelle concentration (CMC) using the COSMOtherm program. When performing the calculation through the UI (COSMOthermX), the CMC value is displayed directly, but when I perform the calculation using an inp file in LINUX, it seems that the CMC value is not outputted.

 

However, it appears that some parameters can be obtained from the out file. Could I calculate the CMC value using the formula shown in the attached image?


 

If so, there are three mixtures in the calculated out file; which mixture should I use to apply to the formula? Or should I use the average value?

 

I have attached the out file as well, in case it helps with your review.

 

Thank you.

 

Best regards,
Rakhoon Choi