Difference between revisions of "orch:Solvers"

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(QSS solver)
(QSS solver)
Line 22: Line 22:
 
* Solve for thermodynamic
 
* Solve for thermodynamic
  
\begin{equation}
+
<math>h_k = \Delta h_{f,k}^{0} + h_{sk}</math>
h_k = \Delta h_{f,k}^{0} + h_{sk}
+
 
\end{equation}
+
  
 
Get Gibbs Free Energy
 
Get Gibbs Free Energy
  
 
Get Equilibrium constants
 
Get Equilibrium constants

Revision as of 20:48, 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