Difference between revisions of "orch:Solvers"

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(Chemical kinetics)
(Chemical kinetics)
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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.  
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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.  
  
 
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Revision as of 13:53, 7 March 2016

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


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.