Difference between revisions of "orch:Solvers"
From orch
(→Chemical kinetics) |
(→Chemical kinetics) |
||
| Line 48: | Line 48: | ||
* Three-body reactions | * Three-body reactions | ||
| − | In the forward direction, three-body reactions involve two species A and B as reactants and yield a single product AB. In that case, the third body M is used to stabilize the excited product AB*. On the contrary, in the reverse direction, heat provides the energy necessary to break the link between A and B. | + | In the forward direction, three-body reactions involve two species A and B as reactants and yield a single product AB. In that case, the third body M is used to stabilize the excited product AB*. On the contrary, in the reverse direction, heat provides the energy necessary to break the link between A and B. |
Revision as of 21:01, 4 March 2016
Contents
Solver to build reference trajectories
- Compute species direct inter-relations
- Compute species relations through indirect paths
- Compute relations between targets and
DRGEP solver for species reduction
DRGEP solver for reactions reduction
QSS solver
- Solve for thermodynamic
Get Gibbs Free Energy
Get Equilibrium constants
Chemical kinetics
- Arrhenius law
The global rate of a reaction (evolution in concentration per unit of time) varies depending on the proportion of the rates associated to the forward and backward directions.
- Three-body reactions
In the forward direction, three-body reactions involve two species A and B as reactants and yield a single product AB. In that case, the third body M is used to stabilize the excited product AB*. On the contrary, in the reverse direction, heat provides the energy necessary to break the link between A and B.
