SPPARKS WWW Site - SPPARKS Documentation - SPPARKS Commands

add_reaction command

Syntax:

add_reaction ID reactant1 reactant2 rate product1 product2 ... 

Examples:

add_reaction 1 A B 1.0e10 C
add_reaction Dreact 1.0 d
add_reaction myReact b2 1.0e-10 c3 d4 e3 

Description:

This command defines a chemical reaction for use in the app_style chemistry application.

The ID is simply a unique string (alphanumeric characters, dashes, underscores, etc) which helps identify the reaction in an input script listing.

Each reaction has 0, 1, or 2 reactants. It also has 0, 1, or more products. The reactants and products are specified by species ID strings, as defined by the add_species command.

The units of the specified rate constant depend on how many reactants participate in the reaction:

Thus the first reaction listed above represents an A and B molecule binding to form a complex C at a rate of 1.0e10 per molarity per second. I.e. A + B -> C.

Restrictions:

This command can only be used as part of the app_style chemistry application.

Related commands:

app_style chemistry, add_species

Default: none