Equilibrium Reaction Operations: Reactions Tab

Variable Definitions, Ranges and Default Values

The following table shows a brief description of the variables appearing in this tab. The table also displays their default values and their generally acceptable range:

Symbol Key: ○ User-specified value (always input); ● Calculated value (always output); ◙ Sometimes input, sometimes output

Specification Choices / Comments

The following list describes the available specification choices in this tab; for more details on how these are implemented, please view see Equilibrium Reaction Operations: Modeling Calculations.

•Reaction Heat...

Use negative enthalpy values for exothermic (heat releasing) reactions and positive for endothermic (heat absorbing). You can either supply a value here at a given reference temperature and along with the assumed state of participants (see next), or you can invoke the Reaction Enthalpy Calculator (click on  ) that can help you estimate the Reaction Heat from the heats of formation of each participant (and the stoichiometry of the reaction).

 This button will bring up the Reaction Enthalpy Calculator Dialog interface which allows you to estimate the reaction enthalpy (heat of reaction) based on the enthalpies of formation of each participant (reactant and product). Notice that you cannot invoke the Reaction Enthalpy Calculator if:

a)  a reaction enthalpy reference component has not been selected or,

b)  at least one reaction participant component is in the vapor phase at the enthalpy of formation reference temperature (i.e., its normal boiling point is below 25°C) and its vapor parameters have been declared to be ‘Unknown/Irrelevant’.

•Assumed PS of Reaction Participants

SuperPro offers the option to specify the physical state of the reaction participants (at the reaction reference temperature) that corresponds to the user-defined reaction enthalpy. By default, the physical states of the participating components are inferred by the normal boiling point criterion at the reaction reference temperature. Click on the button  to view and edit the physical state of the reaction participants. Please see Reaction Participants PS Dialog.

•Reaction Scheme...

You can use the following buttons for editing / rearranging reactions:

to view/edit the reaction stoichiometry of the selected reaction,

to view/edit the kinetic data of the reaction,

 to delete the selected reaction,

to rename the selected reaction,

to insert a reaction above the selected one,

to add a reaction at the end of the sequence.

For information on the reaction stoichiometry, see Reaction Stoichiometry Balance Dialog.

For details on the kinetics of the equilibrium reaction, see Equilibrium Reaction Kinetics Dialog.