Hi.
I tried to define a solid compound as a pseudo and i couldn't. As in other simulators i only defined molar weight and density, but when i tried to select it, i receive the following message "No data for critical pressure". How can i tell TEA that this is a solid compound and it shouldn't participate in the flash calculations?
Please.
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| Solid as a psudocompound | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14 
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  Solid as a psudocompound |
| Thu Oct 29, 2009 9:13 pm |    |
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jasper SIG participant 
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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It needs to be marked as a Solid-Only compound.
In TEA, load the compound, and then (on the compounds tab), select the compound and hit Edit. On the Constants Tab you will see Family. Set to Solid-only. Hit ok. On TEA's Phase Info tab you will notice that a new phase has been introduced: the solid phase. All Solid Only compound will end up in a single solid phase. Critical properties are not required for solid-only compounds. |
| Fri Oct 30, 2009 9:46 am |  |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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ps: the solid-only compounds always end up in the solid phase, so they do take part in a TP flash in a very trivial way. In a PH flash for example, they take part somewhat more, as the enthalpy of the solids requires calculation at each iteration.
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| Fri Oct 30, 2009 9:54 am | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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Hi Jasper.
I tried to load the compound in TEA and i just received the message ""No data for critical pressure of compound.. ". I thought it would be possible to define the family in the PDC manager but "Solid-Only compound" family doesn't appear. What do you think this happening? |
| Fri Oct 30, 2009 1:28 pm | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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You are right - the compound will not load if not marked solid-only.
The latest PCD manager will allow you to set that family for compounds; please update ChemSep LITE from http://www.chemsep.com/ |
| Fri Oct 30, 2009 1:31 pm | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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Jasper. I don't know why but although i have defined the compound as a solid only, the same message about critical pressure is appearing. I also realize that in this release of chemsep a new family was introduced, pseudo. What's the benefit of defining a pseudo using this family type?
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| Fri Oct 30, 2009 6:55 pm | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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Can you send me the PCD so that I can try? And tell me which compounds from this PCD to use?
(please send to jasper@amsterchem.com) |
| Sat Oct 31, 2009 9:55 pm | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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sent...
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| Mon Nov 02, 2009 4:51 pm | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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I do not have the problems you describe. I do have some issues. Upon loading the compound from PCD:
--------------------------- Warnings: --------------------------- No CAS number for compound solido1. No data for Antoine equation for liquid vaporPressure of compound solido1 No data for Temperature Correlation for pure solid density of compound solido1. --------------------------- OK --------------------------- Solid density is required for a solid compound, unless volume and density are not used. Probably you can get away with putting in a constants (e.g. formula "A"). Also advisable, if known, to put a heat of formation in. Which version of TEA are you using? |
| Tue Nov 03, 2009 7:24 am | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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The family pertains only to a few particular property calculation methods (with the exception of solid-only, which of course has a large impact). For some families, some correlations behave in a particular manner, see for example the TEA help on Thermal Conductivity, Pachaiyappan et al. For the 'pseudo' family I do believe at this point all correlations behave as their default version. |
| Tue Nov 03, 2009 7:28 am | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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I'm tried with 1.0 and 1.1 TEA versions and the same happened. The available data for the solids i'm using is MW and SG. What do you think is happened?
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| Tue Nov 03, 2009 2:16 pm | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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I mean: what software version do you have? Please use CORK, or right click COCOTEA.DLL, or check when selecting TEA in COCO (Select Thermo Pack or Property Pack window) by unfolding the TEA (CAPE-OPEN 1.X) key and see what the ComponentVersion says. Should say 1.15.0.X
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| Tue Nov 03, 2009 2:20 pm | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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Jasper. I was using the 1.14.0.0 TEA version. Now i just downloaded the 1.15.0.0 version and i could select the pseudo solid compound. But when i try to run a simulation using this compound the program shut down. I'm going to send to you the .fsd file.
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| Tue Nov 03, 2009 8:56 pm | |
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jasper SIG participant
Joined: 19 Sep 2008 Posts: 294 Location: Spain
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The problem again runs fine on my installation:
Stream 3 unit Overall pressure 101325 Pa Overall temperature 306.66666 K Overall mass fraction [solido1] 0.013354554 Overall mass fraction [Water] 0.98664545 Overall flow 15000 mol / s Overall MW 0.018244009 kg / mol mass phaseFraction [Liquid] 0.98664545 mass phaseFraction [Solid] 0.013354554 Can you attempt running CUP to make sure you are running the latest versions? |
| Wed Nov 04, 2009 8:38 am | |
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pernaletec
Joined: 28 Sep 2009 Posts: 14
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Jasper, you were right. I was using the 1.15.0.0 version and supposed to use the last one, i mean the 1.15.0.7 version. Now the simulation run fine.
Thanks a lot for your help! Keep in touch! César |
| Wed Nov 04, 2009 11:57 pm | |
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