Cantera  2.0
solveSP.h File Reference

  Header file for implicit surface problem solver


(see Chemical Kinetics and class solveSP). More...

#include "ImplicitSurfChem.h"
#include "cantera/kinetics/InterfaceKinetics.h"
#include <vector>
#include "cantera/base/Array.h"
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## Classes

class  solveSP
Method to solve a pseudo steady state surface problem. More...

## Namespaces

namespace  Cantera
Provides class Nucleus.

## Variables

const int SFLUX_INITIALIZE = 1
Solution Methods.

const int SFLUX_RESIDUAL = 2

const int SFLUX_JACOBIAN = 3

const int SFLUX_TRANSIENT = 4

const int BULK_DEPOSITION = 1

const int BULK_ETCH = 2

## Detailed Description

  Header file for implicit surface problem solver


(see Chemical Kinetics and class solveSP).

Definition in file solveSP.h.

## Variable Documentation

 const int SFLUX_INITIALIZE = 1

Solution Methods.

Flag to specify the solution method

1: SFLUX_INITIALIZE = This assumes that the initial guess supplied to the routine is far from the correct one. Substantial work plus transient time-stepping is to be expected to find a solution. 2: SFLUX_RESIDUAL = Need to solve the surface problem in order to calculate the surface fluxes of gas-phase species. (Can expect a moderate change in the solution vector -> try to solve the system by direct methods with no damping first -> then, try time-stepping if the first method fails) A "time_scale" supplied here is used in the algorithm to determine when to shut off time-stepping. 3: SFLUX_JACOBIAN = Calculation of the surface problem is due to the need for a numerical jacobian for the gas-problem. The solution is expected to be very close to the initial guess, and accuracy is needed. 4: SFLUX_TRANSIENT = The transient calculation is performed here for an amount of time specified by "time_scale". It is not guaranteed to be time-accurate - just stable and fairly fast. The solution after del_t time is returned, whether it's converged to a steady state or not.

Definition at line 51 of file solveSP.h.