4.13.3.2. Example: Athermal, gas phase, reversible reaction¶
\[\text{A}(g) ↔ \text{R}(g)\]
Notes:
Species database names and aliases are defined on single lines.
The forward and backward reactions are defined separately.
The heats of reaction are defined as zero (athermal) and explicitly assigned to the gas phase.
NMAX_g = 2
Species_g(1) = "A" "R"
Species_Alias_g(1) = "A" "R"
! No. of gas phase species
! Database names
! Species aliases
@(RXNS) ! Begin reaction block
fwd_AtoR { ! Reaction 1 construct
chem_eq = "A --> R" ! Chemical Reaction Eq
DH = 0.0 ! (cal/moles-reacted)
fracDH(0) = 1.0 ! Gas phase HoR
} ! End reaction 1 construct
rvs_AtoR { ! Reaction 2 construct
chem_eq = "R --> A" ! Chemical Reaction Eq
DH = 0.0 ! (cal/moles-reacted)
fracDH(0) = 1.0 ! Gas phase HoR
} ! End reaction 2 construct
@(END) ! End reaction block