The Chemical Reaction Rate
For laminar flow, or when the Turbulent-reaction model is set to None in a Reaction feature (in Transport of Concentrated Species), the default (Automatic) reaction rate used by the Reaction feature is based on the mass action law. Consider a general reaction belonging to a set of j reactions and involving i species:
(8-64)
For such a reaction set, the reaction rates rj (SI unit: mol/(m3·s)), can be described by the mass action law:
(8-65)
Here, and denote the forward and reverse rate constants, respectively. The concentration of species i is denoted ci (SI unit: mol/m3). The stoichiometric coefficients are denoted νij, and are defined to be negative for reactants and positive for products. In practice, a reaction seldom involves more than two species colliding in a reacting step, which means that a kinetic expression is usually of order 2 or less (with respect to the involved concentrations).
In addition to the concentration dependence, the temperature dependence can be included by using the predefined Arrhenius expressions for the rate constants:
Here, A denotes the frequency factor, n the temperature exponent, E the activation energy (SI unit: J/mol) and Rg the gas constant, 8.314 J/(mol·K). The pre-exponential factor, including the frequency factor A and the temperature factor Tn, is given the units (m3/mol)α − 1/s, where α is the order of the reaction (with respect to the concentrations).