C2(*)Sorption

C2(*)Sorption predicts the adsorption properties of molecules in microporous solids (e.g., zeolites) and on surfaces. C2(*)Sorption applies a "Grand Canonical Monte Carlo" simulation, using the C2(*)OFF for energy calculations. You can predict adsorption isotherms, binding sites, adhesion energies, diffusion paths and molecular selectivity.

Brenda Pfeiffer

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