Hi.everyone,

I just work on modeling of activated carbon on atomic level using Materials Studio. My model is shown below. However I came across some problems while evalution of the model(pore size distribution, density, etc.)

First, I tried to use "Tools-Atom Volumes&Surface" to calcalute the pore size distribution. Before doing that, I need know exactly the whole volume, then varies with solvent radius to get occupied volume. Maybe this is a way, but I'm not sure if it works. Or if anyone has a better approach to get the PSD.

Second, the "Analysis in Forcite Module" provides analysis of density, torsion distribution, ect. However, the cell parameter/density cannot be performed, angle/length/torision distirbution says no data to analysis on. I think maybe the problem is I need to build a "box" to include the structure, but I have no idea how to do that.

Is there anyone can help or discuss with me? Sincerely appreciate your help. Thanks very much!