Compounds Properties

The Compounds Properties Node displays values for the Heat of Formation, Density and Specific Heat (Cp).
This information entered here is used only for a special class of models. This special class includes:
  • Models where density information is needed to simulate variable volume or variable flow reactors
  • Models where specific heat and heat of formation are needed for calculating temperatures from energy balance equations
The special cases described above may be enabled in the Reactor node. In all other cases, the information entered here is optional and not used for model calculations.

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Heat of Formation

Specific Heat (Cp)

Density



Heat of Formation

In this view, you may enter the Heat of Formation for compounds at standard conditions (25C and 1 atm). Values can be provided for Liquid, Gas or Solid phases.
The information entered here is used only if the Energy balance model is enabled for Temperature calculations in the Reactor node. More information is provided in the Example.



Specific Heat (Cp)

In this view, you may enter Gas, Liquid or Solid Phase Specific Heat (Cp) properties as a cubic polynomial function of temperature:



The information entered here is used only if the Energy balance model is enabled for Temperature calculations in the Reactor node. More information is provided in the Example.
The view is organized as follows:
    • Phase column
    • Compound column: displays the list of compounds in the project.
    • A, B, C and D columns: Here, you may enter the coefficient values for the polynomial correlation. The column headers also specify the Units for the parameters.
    • Temperature Validity Range column (Optional) is a text field (maximum 50 characters) used to store comments about the correlation.


Density

This view is similar to Specific Heat (Cp) view. For each compound and for Liquid or Solid phase, you may load the correlation for Density.
These values are used only when volume or flow changes due to reaction are to be calculated from the densities.

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