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GCMC problem: Extraordinarily high N2 capacity in ZIF8 #38

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kich2018 opened this issue Oct 8, 2018 · 0 comments
Open

GCMC problem: Extraordinarily high N2 capacity in ZIF8 #38

kich2018 opened this issue Oct 8, 2018 · 0 comments

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@kich2018
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kich2018 commented Oct 8, 2018

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).

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