Difference between revisions of "orch:Solvers"

Latest revision as of 19:33, 7 March 2016

$h_{k}=\Delta h_{f,k}^{0}+h_{sk}$

$h_{sk}=\int _{T_{0}}^{T}Cp_{k}dT$

Get Gibbs Free Energy

Get Equilibrium constants

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 == Solver to build reference trajectories ==
+== DRGEP solver for species reduction ==
 * Compute species direct inter-relations
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 * Compute species relations through indirect paths
 * Compute relations between targets and
-== DRGEP solver for species reduction ==
 == DRGEP solver for reactions reduction ==
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 Get Equilibrium constants
-== Chemical kinetics ==
-* Arrhenius law
-<math>k = \mathcal{A} T^{\beta} \exp \left(-\frac{E_a}{R T}\right) </math>
-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.
-<math>Q = Q_f - Q_r</math>
-�* 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. Although three-body reactions are described by only one Arrhenius equation, the process goes through the steps detailed within the table