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World building: atmosphere composition

There was a table in [Traveller 2300] 2300AD which gave the molecular speed of some common gases and there was also an indication of what amount of gravity a world would need to retain each gas type.

Obviously, temperature would have some effect too (making some gases energetic enough to escape at lower G level).

Finally the ability of different gases to mix, and their likely relative proportions, need to be known to get sensible 'exotic' atmospheres (there is a Special Supplement on these, but the guidance seems to be "ref decides").

Has anyone worked up a Traveller/CT/MT equivalent, that would enable a hard-pressed ref to dice up some interesting atmospheres for worlds outside the usual habitable zone/standard atmospheres ranges? And which would be possible with the surface g (gravity) determined for a world?
 
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