Dear Friends,

Can anyone help me regarding adsorption isotherm? I am new to Material Studio

I am studying the CO2 adsorption isotherm in Ionic Liquids.

I have created an amorphous cell of 20 cations and 20 anions by specifying the density of ionic liquid.

I have run the "Sorption module" to get the adsorption isotherm for CO2.

I got the result as "Average loading per cell"

I would like to convert this data into "moles of CO2 per mole of ionic liquid"

For example: at 1000kPa, I got average CO2 loading per cell as 3.085.

The ionic liquid is [emim][Tf2N]. density is 1.555g/cc and molecular weight of this IL is 391.39

Thanking you

Best Regards

Yamini