5 replies to this topic

I wish to calculate vapor-solid and liquid-solid curves for methane carbon dioxide with Prode,
I use Soave Redlick Kwong (SRK) model but according the manual different models for liquid fugacity could be selected,
which are the recommended options (thermodynamic models etc.) in Properties for these calc's ?

Edited by pdender, 27 February 2012 - 03:01 AM.

[staffel]

with Prode Properties I have obtained decent figures for CH4-CO2 vapor-solid equilibria with SRK model and BIP from database.
You may improve accuracy fitting BIP data, there are also papers discussing applications of models as NRTL, see for example "Beware the Pitfalls of CO2 Freezing Prediction", these may possibly give better results.

thanks staffel,
as said I wish to calculate vapor-solid and liquid-solid equilibria.
Results with Soave Redlich Kwong model look reasonably correct however I would like to know which options are available in the software for these calc's.

[PaoloPemi]

as said by staffel Soave Redlich Kwong or Peng Robinson should permit to calculate reasonably good values for non-associating compunds as hydrocarbons, then it depends from the level of accuracy which you wish to obtain, as alternative if your mixture includes associating compounds as water , alcohols etc. you may try SAFT (available in extended version) or CPA (Cubic Plus Association) these should work better in those cases.

thanks PaoloPemi,
there are several papers reporting good results with SAFT for solid phase equilibria,
still I have not evaluated this model but I do hope to make some tests soon.

[marchem]

the SAFT model available in Prode Properties could be a good alternative,
it is indeed very accurate.