Cantera
2.0

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"
Go to the source code of this file.
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 
Header file for implicit surface problem solver
(see Chemical Kinetics and class solveSP).
Definition in file solveSP.h.
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 timestepping 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 gasphase species. (Can expect a moderate change in the solution vector > try to solve the system by direct methods with no damping first > then, try timestepping if the first method fails) A "time_scale" supplied here is used in the algorithm to determine when to shut off timestepping. 3: SFLUX_JACOBIAN = Calculation of the surface problem is due to the need for a numerical jacobian for the gasproblem. 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 timeaccurate  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.
Referenced by solveSP::print_header(), ImplicitSurfChem::solvePseudoSteadyStateProblem(), and solveSP::solveSurfProb().