Author Topic: Idealgasrosenbluchweight  (Read 1039 times)

peter

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Idealgasrosenbluchweight
« on: July 05, 2022, 04:10:13 PM »
Hi, I hope you are all doing well. Just short question.
At particular temperature, we need to compute idealgasrosenbluvhweight for cbmc. Is this parameter
The same for bulk and confined fluid ? If not it must be recalculated for all porous materials ? Cheers piotr


David Dubbeldam

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Re: Idealgasrosenbluchweight
« Reply #1 on: July 14, 2022, 07:43:34 PM »
The ideal gas Rosenbluth weight is only depending on temperature. For each temperature you can pre-compute it (see examples).

peter

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Re: Idealgasrosenbluchweight
« Reply #2 on: July 16, 2022, 01:00:43 PM »
Thank you for answer. I followed the published example. The EOS for n hexane is reproduced from TRAPPE. Regards Piotr