Boundary1D.h Source File#
Boundary1D.h
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Header for a simple thermodynamics model of a surface phase derived from ThermoPhase,...
The base class for boundaries between one-dimensional spatial domains.
Definition Boundary1D.h:40
virtual void setMoleFractions(const string &xin)
Set the mole fractions by specifying a string.
Definition Boundary1D.h:71
virtual void setMoleFractions(const double *xin)
Set the mole fractions by specifying an array.
Definition Boundary1D.h:76
void setupGrid(size_t n, const double *z) override
called to set up initial grid, and after grid refinement
Definition Boundary1D.h:105
void fromArray(SolutionArray &arr, double *soln) override
Restore the solution for this domain from a SolutionArray.
Definition Boundary1D.cpp:79
virtual void setSpreadRate(double V0)
Set tangential velocity gradient [1/s] at this boundary.
Definition Boundary1D.h:91
virtual double spreadRate()
Tangential velocity gradient [1/s] at this boundary.
Definition Boundary1D.h:96
shared_ptr< Solution > m_solution
Composite thermo/kinetics/transport handler.
Definition Domain1D.h:567
shared_ptr< Solution > solution() const
Return thermo/kinetics/transport manager used in the domain.
Definition Domain1D.h:366
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:287
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:282
void setMoleFractions(const string &xin) override
Set the mole fractions by specifying a string.
Definition Boundary1D.cpp:122
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:241
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:173
void fromArray(SolutionArray &arr, double *soln) override
Restore the solution for this domain from a SolutionArray.
Definition Boundary1D.cpp:258
double spreadRate() override
Tangential velocity gradient [1/s] at this boundary.
Definition Boundary1D.h:151
A kinetics manager for heterogeneous reaction mechanisms.
Definition InterfaceKinetics.h:56
An error indicating that an unimplemented function has been called.
Definition ctexceptions.h:195
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:406
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:373
void setMoleFractions(const string &xin) override
Set the mole fractions by specifying a string.
Definition Boundary1D.cpp:414
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:488
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:456
void fromArray(SolutionArray &arr, double *soln) override
Restore the solution for this domain from a SolutionArray.
Definition Boundary1D.cpp:505
void setKinetics(shared_ptr< Kinetics > kin) override
Set the kinetics manager.
Definition Boundary1D.cpp:602
void resetBadValues(double *xg) override
When called, this function should reset "bad" values in the state vector such as negative species con...
Definition Boundary1D.cpp:637
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:726
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:643
void _finalize(const double *x) override
In some cases, a domain may need to set parameters that depend on the initial solution estimate.
Definition Boundary1D.h:365
void fromArray(SolutionArray &arr, double *soln) override
Restore the solution for this domain from a SolutionArray.
Definition Boundary1D.cpp:745
string componentName(size_t n) const override
Name of the nth component. May be overloaded.
Definition Boundary1D.cpp:614
void _getInitialSoln(double *x) override
Writes some or all initial solution values into the global solution array, beginning at the location ...
Definition Boundary1D.h:361
A container class holding arrays of state information.
Definition SolutionArray.h:33
This class represents 1D flow domains that satisfy the one-dimensional similarity solution for chemic...
Definition StFlow.h:45
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:547
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:522
void fromArray(SolutionArray &arr, double *soln) override
Restore the solution for this domain from a SolutionArray.
Definition Boundary1D.cpp:554
void show(std::ostream &s, const double *x) override
Print the solution.
Definition Boundary1D.cpp:562
A simple thermodynamic model for a surface phase, assuming an ideal solution model.
Definition SurfPhase.h:98
void getCoverages(double *theta) const
Return a vector of surface coverages.
Definition SurfPhase.cpp:249
shared_ptr< SolutionArray > asArray(const double *soln) const override
Save the state of this domain as a SolutionArray.
Definition Boundary1D.cpp:339
void eval(size_t jg, double *xg, double *rg, integer *diagg, double rdt) override
Evaluate the residual function at point j.
Definition Boundary1D.cpp:300
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
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