orch:Solvers
Contents
Solver to build reference trajectories
DRGEP solver for species reduction
- Compute species direct inter-relations
- Compute species relations through indirect paths
- Compute relations between targets and
DRGEP solver for reactions reduction
QSS solver
- Solve for thermodynamic
Get Gibbs Free Energy
Get Equilibrium constants
Chemical kinetics
- Arrhenius law
Failed to parse (MathML with SVG or PNG fallback (recommended for modern browsers and accessibility tools): Invalid response ("<p>There was a problem during the HTTP request: 400 Bad Request </p>") from server "http://127.0.0.1:10044/":): k_j = \mathcal{A}_j T^{\beta_j} \exp \left(-\frac{E_a_{j}}{R T}\right)
The global rate of a reaction j (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.
The third body M can be any inert molecule.