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numat / RASPA2

NO LONGER UPDATED. Use the official repository.
https://github.com/iraspa/RASPA2
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GCMC problem: Extraordinarily high N2 capacity in ZIF8 #38

Open kich2018 opened 5 years ago

kich2018 commented 5 years ago

Dear person to whom it may concern:

As a test for GCMC simulations of RASPA2, I performed N2 adsorption simulations in ZIF-8 at 77K at varied pressures. The results were not what I expected because the N2 adsorption amounts for given pressures ( 0.2 - 5000 Pa) were extremely high. Cap anyone help me with this?

Best regards,

(e.g., 62 output.txt 0 mol/kg at 1 Pa).