Dear Professors,
Hello everyone! I am a beginner in using COSMOtherm X and would like to verify whether my solubility calculations are correct. I would greatly appreciate your guidance and corrections.
The solute I am working with is a quaternary ammonium salt compound. For the calculation, I uploaded its cation and anion structures. The solvents I selected are oxalic acid and dimethyl sulfoxide (DMSO). My procedure was as follows:
Navigated to Properties → Multiple Solvents.
Configured the settings (please refer to the first image I attached).
Ran the calculation, and the results are shown in the second image.
My first question is regarding the w_solub value of 0.6248. Is this a normal result? Based on my basic chemistry knowledge, this would imply that 50 g of solvent can dissolve approximately 30 g of solute. I would like to confirm whether this is reasonable.
My second question is about the units of log10(x_solub) and w_solub. Could you please clarify what these units represent?
I have attached the relevant images for your reference. Any insights, corrections, or advice you could provide would be immensely helpful to me.
Thank you for your time and support. I look forward to your responses and guidance.
Best regards,
baoxia Wang
