Difference between revisions of "orch:Solvers"

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(QSS solver)
(Chemical kinetics)
Line 38: Line 38:
 
* Arrhenius law
 
* Arrhenius law
  
<math>k = \mathcal{A} T^{\beta} \exp \left(-\frac{E_a}{R T}\right)<math>
+
<math>k = \mathcal{A} T^{\beta} \exp \left(-\frac{E_a}{R T}\right) </math>

Revision as of 20:55, 4 March 2016

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