Species Properties ($SDB) 9.2

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Navigation: User Guide -> Menu Commands -> Species Commands -> Species Properties ($SDB)

Related Links: Species Table 9.2, Species Database Class, Density Correction Calculations

Introduction

This page can be accessed via the 'Species' - 'View Properties' or by right clicking on the Graphics Window background.

This opens the Species Properties Access Window ($SDB). There are a number of tabs for this Access window that display the properties for the species used in the project. This can be used to check the property data and provides useful data for the SysCAD users while solving the project.

The species properties are based on the data loaded for the project in the Species Database. The properties of individual species are used in the Standard Species Model to calculate the properties of a stream (mixture).

To access thermodynamic properties of species in a controller use the PGM Species Database Class.

Video Link

This View Species Properties video in the tutorial section shows the different ways in which you can view species properties used in a SysCAD project.

Thermo1 Tab

This tab page displays the following thermodynamic properties of ALL species in the project:

  • Total Enthalpy at Temperature (H@T),
  • Heat Capacity (Cp),
  • Enthalpy (Hz and Hs),
  • The lower and upper temperature limits for valid Cp data of individual compounds.

These are displayed as follows:

SpeciesData01.png

  • 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.
  • Copy Species Data to Clipboard
  • The Species Properties Reports button allows the user to copy selected data onto the clipboard.


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).

Thermo2 Tab

This tab page displays the following thermodynamic properties of ALL species in the project:

  • Entropy (S@T),
  • Gibbs Free Energy (Gf and DeltaGf),
  • Heating Value - This is the energy released if the compound is fully combusted with O2.
  • The lower and upper temperature limits for the individual compounds.

SpeciesData02.png

  • 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.
  • Copy Species Data to Clipboard
  • The Species Properties Reports button allows the user to copy selected data onto the clipboard.

Vapours Tab

This tab page displays the following properties of the Vapour species in the project:

  • Density, if SysCAD is using the Ideal Gas density to calculate the density for this species, the word IdealGas will appear on the far right.
  • Vapour Pressure at the user specified Temperature,
  • Vapour Temperature at the user specified Pressure,
  • Cp/Cv, usually (not steam) equal to Cp/(Cp-R), based on ideal gas relationship Cp = Cv + R, where R = gas constant.


SpeciesData03.png

  • 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.
  • Copy Species Data to Clipboard
  • The Species Properties Reports button allows the user to copy selected data onto the clipboard.

Liquids Tab

This tab page displays the following properties of the Liquid species in the project:

  • Density
  • Corrected Solution Density (if Density Correction function is defined)
  • Boiling Point Elevation (BPE)
  • Solubility
  • pH estimate (negLogH)

SpeciesData04.png

  • 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 HtDilnSoluteMassFrac is used to change the mass fraction of any species with Heat of Dilution Data.
  • Copy Species Data to Clipboard
  • The Species Properties Reports button allows the user to copy selected data onto the clipboard.

Density Corrections

The density values are displayed as shown above. Adjacent to the Density column there may an additional column, CorrDens.

The CorrDens column shows:

  1. 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.
  2. For liquid species with a Density Correction Function defined, the value displayed is the density of a solution with the user defined solute mass fraction (this solution contains the solvent and the solute only - no other species)
    (Please see Density Correction Calculations for further information on this topic)

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.

Solids Tab

This tab page displays the following properties of the Solid species in the project:

  • Density


SpeciesData05.png

  • 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.
  • Copy Species Data to Clipboard
  • The Species Properties Reports button allows the user to copy selected data onto the clipboard.


Definition Tab

This tab page displays the following definitions for ALL species in the project:

  • Elemental definition of the compound
  • Molecular Weight,
  • The Standard Species Information (Elemental Compound present), used for delta Gibbs Free Energy calculations.


SpeciesData06.png

The properties displayed on this tab page include:


Other Tab

This tab page displays the following information for ALL species in the project:

  • 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.

SpeciesData07.png


Elements Tab

The Elements tab page displays the following information for elements:

  • Hard-wired atomic weights used by SysCAD for all elements.
  • The Standard Species for the element, used for delta Gibbs Free Energy calculations.

Note:
The tick box All Elements at the top of the Tab page will toggle what is viewed on the page. If this box is not checked then only Elements that are present in the current project are shown.


SpeciesData08.png

Copy Species Data to clipboard

Pressing the Copy Species Data to Clipboard button will add selected Properties Data to the clipboard, where user can then manually paste them onto packages such as MS Excel for information.

Information copied by this button include:

Common Name, Compound Name, Elemental Definition, Phase, Individual Phase, Molecular Weight, Enthalpy @25 (H25), Entropy @25 (S25), Heat Capacity Equation(Cp), Critical Pressure (Pc), Critical Temperature(Tc), Critical Volume(Vc), Acentricity(Ac). For more information, please see Species Table 9.2

User can also use the Excel Report function to auto generate this information to a selected MS Excel workbook. For more information, please see Export Reports

Species Properties Reports

Species Properties Reports

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 Species 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.