33.4.26 Pressure-Dependent Reaction Dialog Box

The Pressure-Dependent Reaction dialog box (opened by clicking on Specify... under Pressure-Dependent Reaction in the Reactions dialog box) allows you to specify parameters for a pressure fall-off reaction. See Section  15.1.3 for details.

(Note that the Pressure-Dependent Reaction dialog box is a modal dialog box, which means that you must tend to it immediately before continuing the property definitions.)

Controls

Reaction Parameters   contains inputs for specifying the type of pressure fall-off reaction and the reaction parameters. See this section in the separate Theory Guide for details.

Reaction Type   contains a drop-down list of the available reaction types: lindemann, troe, and sri. See this section in the separate Theory Guide for details.

Bath Gas Concentration   allows you to specify if the bath gas concentration ( $[M]$ in this equation in the separate Theory Guide) is to be defined as the concentration of the mixture, or as the concentration of one of the mixture's constituent species.

Low Pressure Arrhenius Rate   contains inputs for specifying low-pressure Arrhenius parameters.

ln(Pre-exponential Factor)   is the natural logarithm of the constant $A_{\rm low}$ in this equation in the separate Theory Guide. The pre-exponential factor $A_{\rm low}$ is often an extremely large number, so you will input the natural logarithm of this term.

Activation Energy   is the constant $E_{\rm low}$ in this equation in the separate Theory Guide.

Temperature Exponent   is the constant $\beta_{\rm low}$ in this equation in the separate Theory Guide.

Troe parameters   contains inputs for specifying parameters for the Troe method. See this section in the separate Theory Guide for details. (This section of the dialog box will appear only if you have selected troe as the Reaction Type.)

Alpha   is the constant $\alpha$ in this equation in the separate Theory Guide.

T1   is the constant $T_1$ in this equation in the separate Theory Guide.

T2   is the constant $T_2$ in this equation in the separate Theory Guide.

T3   is the constant $T_3$ in this equation in the separate Theory Guide.

SRI Parameters   contains inputs for specifying parameters for the SRI method. See this section in the separate Theory Guide for details. (This section of the dialog box will appear only if you have selected sri as the Reaction Type.)

a   is the constant $a$ in this equation in the separate Theory Guide.

b   is the constant $b$ in this equation in the separate Theory Guide.

c   is the constant $c$ in this equation in the separate Theory Guide.

d   is the constant $d$ in this equation in the separate Theory Guide.

e   is the constant $e$ in this equation in the separate Theory Guide.