87 lines
4.5 KiB
Text
87 lines
4.5 KiB
Text
/**
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* @defgroup phases Models of Phases of Matter
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*
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* These classes are used to represent the composition and state of a
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* single phase of matter.
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* Together these classes form the basis for describing the species and
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* element compositions of a phase as well as the stoichiometry
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* of each species, and for describing the current state of the
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* phase. They do not in themselves contain Thermodynamic equation of
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* state information. However, they do comprise all of the necessary
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* background functionality to support thermodynamic calculations, and the
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* class ThermoPhase inherits from the class Phase (see \ref thermoprops).
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*
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* Class Elements manages the elements that are part of a
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* chemistry specification for a phase. This class may support calculations
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* employing Multiple phases. In this case, a single Elements object may
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* be shared by more than one Constituents class. Reactions between
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* the phases may then be described using stoichiometry base on the
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* same Elements class object.
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*
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* The member functions of class %Elements return information about
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* the elements described in a particular instantiation of the
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* class.
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*
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* Class %Constituents is designed to provide information
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* about the elements and species in a phase - names, index
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* numbers (location in arrays), atomic or molecular weights,
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* etc. No computations are performed by the methods of this
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* class. The set of elements must include all those that compose
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* the species, but may include additional elements.
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*
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* %Constituents contains a pointer to the Elements object, and
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* it contains wrapper functions for all of the functionality
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* of the %Elements object, i.e., atomic weights, number and identity
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* of the elements. %Elements may be added to a phase by using
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* the function Constituents::addUniqueElement(). The %Elements
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* object may be shared amongst different Phases.
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*
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* %Constituents also contains utilities retrieving the index of
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* a species in the phase given its name, Constituents::speciesIndex().
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*
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* Class State manages the independent variables of temperature,
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* mass density, and species mass/mole fraction that define the
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* thermodynamic state.
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*
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* Class %State stores just enough information about a
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* multicomponent solution to specify its intensive thermodynamic
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* state. It stores values for the temperature, mass density, and
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* an array of species mass fractions. It also stores an array of
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* species molecular weights, which are used to convert between
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* mole and mass representations of the composition. These are the
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* \e only properties of the species that class %State knows about.
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*
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* Class %State is not usually used directly in application
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* programs. Its primary use is as a base class for class
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* Phase. Class %State has no virtual methods, and none of its
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* methods are meant to be overloaded. However, this is one
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* exception. If the phase is incompressible, then the density
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* must be replaced by the pressure as the independent variable. In
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* this case, functions such as State::setMassFractions() within
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* the class %State must actually now calculate the density (at
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* constant <I>T</I> and <I>P</I>) instead of leaving it alone as
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* befits an independent variable. Therefore, these types of
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* functions are virtual functions and need to be overloaded for
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* incompressible phases. Note, for nearly incompressible phases
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* (or phases which utilize standard states based on a <I>T</I> and
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* <I>P</I>) this change in independent variables may be
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* advantageous as well, and these functions in %State need to
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* overload as well so that the stored density within State
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* doesn't become out of date.
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*
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* Class Phase derives from both clases
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* Constituents and State. In addition to the methods of those two
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* classes, it implements methods that allow referencing a species
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* by name. And, it contains a lot of utility functions that will
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* set the %State of the phase in its entirety, by first setting
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* the composition, then the temperature and then the density.
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* An example of this is the function,
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* Phase::setState_TRY(doublereal t, doublereal dens, const doublereal* y).
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*
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* Class Phase contains method for saving and restoring the
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* full internal states of each phase. These are called Phase::saveState()
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* and Phase::restoreState(). These functions operate on a state
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* vector, which is in general of length (2 + nSpecies()). The first
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* two entries of the state vector is temperature and density.
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*
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*/
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