Difference between revisions of "orch:Solvers"

Revision as of 21:56, 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

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

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

Get Gibbs Free Energy

Get Equilibrium constants

Chemical kinetics

• Arrhenius law

${\displaystyle k={\mathcal {A}}T^{\beta }\exp \left(-{\frac {E_{a}}{RT}}\right)}$

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.

${\displaystyle Q=Q_{f}-Q_{r}}$