Cantera  2.3.0
Todo List
Member Cantera::getVPSSMgrTypes (std::vector< XML_Node *> &spDataNodeList, int &has_nasa_idealGas, int &has_nasa_constVol, int &has_shomate_idealGas, int &has_shomate_constVol, int &has_simple_idealGas, int &has_simple_constVol, int &has_water, int &has_tpx, int &has_hptx, int &has_other)
Make sure that spDadta_node is species Data XML node by checking its name is speciesData
Member DebyeHuckel::setDensity (const doublereal rho)
Now have a compressible ss equation for liquid water. Therefore, this phase is compressible. May still want to change the independent variable however.
Member HMWSoln::satPressure (doublereal T)
This is probably not implemented correctly. The stability of the salt should be added into this calculation. The underlying water model may be called to get the stability of the pure water solution, if needed.
Member HMWSoln::setDensity (const doublereal rho)

May have to adjust the strategy here to make the eos for these materials slightly compressible, in order to create a condition where the density is a function of the pressure.

Now have a compressible ss equation for liquid water. Therefore, this phase is compressible. May still want to change the independent variable however.

Class MolalityVPSSTP
Make two solvent minimum fractions. One would be for calculation of the non-ideal factors. The other one would be for purposes of stoichiometry evaluation. the stoichiometry evaluation one would be a 1E-13 limit. Anything less would create problems with roundoff error.
Class Phase
  • Make the concept of saving state vectors more general, so that it can handle other cases where there are additional internal state variables, such as the voltage, a potential energy, or a strain field.
  • Specify that the input mole, mass, and volume fraction vectors must sum to one on entry to the set state routines. Non-conforming mole/mass fraction vectors are not thermodynamically consistent. Moreover, unless we do this, the calculation of Jacobians will be altered whenever the treatment of non- conforming mole fractions is changed. Add setState functions corresponding to specifying mole numbers, which is actually what is being done (well one of the options, there are many) when non- conforming mole fractions are input. Note, we realize that most numerical Jacobian and some analytical Jacobians use non-conforming calculations. These can easily be changed to the set mole number setState functions.
Module Rate Coefficient Types
Finish implementing reaction rate types.
Module Rate Coefficient Types
Finish implementing reaction rate types.
Class RootFind

Noise

General Search to be done when all else fails

Class Transport
Provide a general mechanism to store the gradients of state variables within the system.
Member VCS_SOLVE::vcs_nondim_TP ()
Add a scale factor based on the total mole numbers. The algorithm contains hard coded numbers based on the total mole number. If we ever were faced with a problem with significantly different total kmol numbers than one the algorithm would have problems.
Member vcs_VolPhase::sendToVCS_GStar (double *const gstar) const
This function's documentation is incorrect.
Class VPStandardStateTP
Put some teeth into this level by overloading the setDensity() function. It should now throw an exception. Instead, setPressure routines should calculate the solution density and then call State:setDensity() directly.