Species Data
From SysCAD Documentation
Navigation: User Guide -> Menu Commands -> View Commands -> Species Data
Related Links: Species Table, Specie Database Class, Density Correction Calculations
This page is valid for SysCAD 9.2 and later builds. Refer to Species Data for SysCAD 9.1.
Contents |
Introduction
This page can be accessed via the View Command or by right clicking on the Graphics Window background.
This opens the $SDB Access Window. Examples of the species property access window are shown in the sections below. These access windows display the species properties based on the data loaded for the project in the Species Database. This serves both as a check for the property data and useful data for the SysCAD users while solving the project.
Species Property First Tab
- The above Species Property Data is given for a temperature of 25°C and a pressure of 101.325 kPa.
- The Temperature and Pressure can be changed to obtain species properties at different conditions.
- Users can choose to display the data in either mass or mole basis. This is done via the Mass Basis check box, it toggles between the two options.
- Users can also choose to use the Hi or Low Fidelity (accuracy) steam/water model to predict the properties. This is done via the HiFidelity check box.
- The HtDilnSoluteMassFrac is used to change the mass fraction of any species with Heat of Dilution Data.
The properties displayed on this tab page include:
- Total Enthalpy at Temperature (H@T),
- Heat Capacity (Cp),
- Enthalpy (Hz and Hs),
- Entropy
- Gibbs Free Energy (Gf and DeltaGf) and
- The lower and upper temperature limits for valid Cp data for the specie.
Heat of Dilution
If Heat of Dilution data has been entered for any species, then the user will be made aware of this with a * next to the species (for example, refer to H2SO4(aq) in the above table). The Heat of Formation (Hf) will change with the mass fraction entered by the user in the HtDilnSoluteMassFrac box at the top of the page (under Pressure).
Species Property Second Tab
- The Species Property Data on this Tab is given for a temperature of 25°C and a pressure of 101.325 kPa.
- The temperature and pressure can be changed to obtain species properties at different conditions.
- Users can also choose to use the Hi or Low Fidelity (accuracy) steam/water model to predict the properties. This is done via the HiFidelity check box.
- The SoluteMassFrac value is used to change the mass fraction of any species with Density Correction Data.
Data displayed on this page includes:
- Vapour Pressure,
- Vapour Critical Temperature,
- Solubility,
- Density and
- Density correction factors (if any are defined).
Solubility
If the user has entered solubility data in the species database, see Species Table then the saturated values at the defined temperature, either as g/g solvent or g/100g solvent, will be displayed in the Solubility column.
Density Corrections
The density values are displayed as shown above. Adjacent to the Density column there may be two additional columns, CorrDens and Correction Factor.
The CorrDens column shows:
- For vapours, if SysCAD is using the Ideal Gas density to calculate the density for this species.
- For liquids, if Density Correction Function have been defined, then it will show which species is a solvent, and the number of species defined as solutes in that solvent.
- For liquid species with a Density Correction Function defined, two values will be displayed at the percentage entered in the SoluteMassFrac box at the top of the page (under Pressure):
- The density of a solution with the user defined solute mass fraction (this solution contains the solvent and the solute only - no other species)
- The value in parentheses is the density correction factor at the user defined solute mass fraction.
- (Please see Density Correction Calculations for further information on this topic)
Species Property Third Tab
The properties displayed on this tab page include:
- Elemental definition of the compound
- Molecular Weight,
- Acid/Base Dissociation constants (Ka/Kb),
- The Standard Species Information (Elemental Compound present), used for delta Gibbs Free Energy calculation.
- The index for the specie used in SysCAD (I),
Species Property Fourth Tab
- The species symbol, e.g. H2O(l)
- The species Tag, e.g. Water(l),
- The phase of the species (this can only be Solid, Liquid or Vapour), and
- The Individual phase of the species.
Elements Tab Page
The Elements tab page displays the hard-wired atomic weights used by SysCAD for all elements.
Elements that are present in the current project are marked by (Used).
Copying and Pasting
Right clicking on any property value in the above data table will bring up a pop up menu with the following options:
- Conversion: The engineering units for the column can be changed where applicable.
- Format: The format for the column can be changed.
- Copy Full Tag: When the data is presented as a matrix, the conventional Copy and Paste method would not copy the tag properly. To copy the full tag for use in the trend window or other referenced files such as excel or pgm, use this copy full tag command. The format is:
$SDB.compound(phase).ColumnHeading(@ Temp & Pressure) (units)
To paste the tag, use <Ctrl + V> as normal.
NOTE: For referencing properties in a PGM, it is recommended that the Specie Database Class commands are used rather than using the tags from this page.
- Copy Value/Copy: When the data is presented as a matrix, the conventional Copy and Paste method would not copy the tag properly. To copy the tag value for use in the referenced files such as excel or pgm, use this copy value command.
- Paste: As the variables are all calculated or for display only. Values cannot be pasted onto the table.
